Borges started at: 2014-08-10 10:03.

=============================INPUT FILE 10_6.bor=============================

[ARCIMBOLDO]
shelxe_line = -m30 -v0 -a3 -t20 -q -s0.65
topbtf_n = 50
sampling_rotation = -1
toprnp_n = 200
pack_clashes = 0
resolution_rotation = 1.0
use_packing = True
rotation_clustering_algorithm = rot_matrices
topfrf_n = 100
force_core = -1
molecular_weight = 22000
topftf_n = 50
topexp_n = 60
toppack_1 = 10000
threshold_algorithm = 15
topfrf_1 = 1000
sigf_label = SIGF
f_label = F
fragment_to_search = 6
topbrf_n = 100
toprnp_1 = 1000
force_exp = False
topbtf_1 = 50
pack_distance = 3.0
number_of_component = 1
resolution_translation = 1.0
identity = 0.2
exclude_zscore = 0
exclude_llg = 0
rmsd = 0.2
topbrf_1 = 1000
tncs = True
resolution_refinement = 1.0
toppack_n = 10000
post_mortem = False
topexp_1 = 60
topftf_1 = 50
rncs_matl = []
name_job = gr_def
spacegroup = 
helix_length = 10
sampling_refinement = -1
sampling_translation = -1

[GENERAL]
pdb_path = 
ent_path = 
mtz_path = %(data_directory)s/sad.mtz
working_directory = %(data_directory)s/10_6
hkl_path = %(data_directory)s/sad.hkl
data_directory = gr
mtz_p1_path = 

[LOCAL]
path_local_phaser = phaser
path_local_shelxe = shelxe

============================================Summary of your data=====================================================

SPACEGROUP: C 1 2 1
CELL DIMENSIONS: 95.87, 37.78, 101.43, 90.00, 96.84, 90.00
RESOLUTION: 1.73
NUMBER OF UNIQUE REFLECTIONS: 36355.00

2. STEP: Locating Sequentially the Fragments

Fragment 1
Cluster	Rotation Function					Translation Function					Packing					Rigid Body Refinement			Initial CC	Best Trace CC/aa
	#Rots.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Trans.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	After Refinement CC	Cycle	CC	#Res. traced
0	6	25.66	20.41	3.39	2.81	14	38.48	34.62	6.10	4.70	8	35.38	34.30	5.39	4.44	8	37.90	36.71	5.42
1	4	21.24	19.74	2.90	2.73	6	33.85	32.28	5.80	5.33	1	33.85	33.85	5.39	5.39	1	42.10	42.10	5.83
2	1	18.82	18.82	2.63	2.63
3	1	19.42	19.42	2.69	2.69	2	37.31	34.45	6.95	6.12
4	1	19.40	19.40	2.69	2.69	1	30.93	30.93	5.09	5.09	1	30.93	30.93	5.09	5.09	1	34.30	34.30	4.12

Fragment 2
Cluster	Rotation Function					Translation Function					Packing					Rigid Body Refinement			Initial CC	Best Trace CC/aa
	#Rots.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Trans.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	After Refinement CC	Cycle	CC	#Res. traced
(0, 0)	38	60.24	52.67	3.13	2.33	182	93.28	78.62	8.98	6.74
(0, 6)	16	57.70	54.74	2.76	2.57	111	92.65	78.75	8.92	6.70
(0, 7)	25	57.13	54.40	2.71	2.54	114	105.54	78.37	9.15	6.60	2	105.54	96.59	9.15	8.41	2	114.20	104.40	8.10
(0, 8)	23	57.87	54.80	2.81	2.58	108	115.27	80.54	11.25	7.28	1	115.27	115.27	11.25	11.25	1	128.10	128.10	9.88
(0, 9)	6	51.87	50.33	2.13	2.10	8	79.29	76.71	7.43	6.63
(0, 10)	8	57.07	55.64	2.76	2.67	54	87.81	78.39	8.34	6.48
(0, 11)	23	56.12	53.52	2.57	2.40	70	121.10	81.36	10.64	6.90
(0, 12)	2	54.54	52.81	2.39	2.38	3	79.23	76.67	7.21	6.49
(0, 13)	2	53.98	52.33	2.32	2.32	3	82.89	78.27	8.11	7.24
(0, 14)	23	56.79	52.96	2.73	2.37	69	119.06	83.72	10.59	7.05
(0, 15)	6	52.46	50.78	2.16	2.15	9	91.39	78.22	9.04	7.17
(1, 5)	7	62.63	57.98	2.91	2.37	15	103.83	89.66	8.86	7.33
(1, 6)	3	61.07	59.45	2.73	2.54	49	88.43	79.44	8.02	6.36
(1, 7)	7	60.88	58.94	2.71	2.48	44	95.03	82.97	8.07	6.59
(1, 8)	2	60.58	59.58	2.67	2.55	7	98.62	86.11	8.39	7.19
(1, 9)	1	60.37	60.37	2.65	2.65	25	83.88	78.00	7.35	5.80
(1, 10)	2	60.25	59.53	2.63	2.55	27	92.77	80.77	7.15	6.09
(1, 11)	3	59.29	58.22	2.52	2.40	39	93.19	81.74	8.55	6.60
(1, 12)	1	58.49	58.49	2.43	2.43	17	88.58	79.00	8.57	6.45
(1, 13)	1	57.69	57.69	2.34	2.34	2	99.81	91.06	8.16	7.52
(4, 5)	6	59.22	53.91	3.46	2.85	15	98.06	84.35	8.88	7.21
(4, 10)	1	52.73	52.73	2.71	2.71	7	85.43	78.35	8.22	7.12
(4, 14)	3	55.08	53.69	2.98	2.82	21	91.20	78.96	8.78	6.72
(4, 16)	1	52.24	52.24	2.65	2.65	8	88.39	78.40	8.62	7.21

Fragment 3
Cluster	Rotation Function					Translation Function					Packing					Rigid Body Refinement			Initial CC	Best Trace CC/aa
	#Rots.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Trans.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	After Refinement CC	Cycle	CC	#Res. traced
(0, 0, 7)	10	129.04	119.16	2.64	2.29	8	175.09	157.32	8.65	7.27	1	175.09	175.09	8.65	8.65	1	198.80	198.80	10.19
(0, 0, 8)	4	143.92	141.84	2.51	2.27	4	190.81	177.75	8.86	7.62	1	186.28	186.28	8.21	8.21	1	217.30	217.30	11.19
(0, 7, 7)	2	127.51	127.34	2.37	2.35	15	150.73	141.96	7.07	6.18
(0, 7, 13)	3	130.33	123.80	2.83	2.68	22	147.37	140.94	6.64	5.96
(0, 7, 14)	3	128.31	120.99	2.47	2.35	9	145.11	139.37	6.67	6.11
(0, 7, 15)	5	128.14	119.30	2.56	2.30	2	201.39	178.02	12.16	10.13	1	201.39	201.39	12.16	12.16	1	236.10	236.10	11.49
(0, 7, 17)	7	129.11	127.02	2.56	2.32	5	224.01	205.49	13.30	11.40	1	180.87	180.87	9.17	9.17	1	276.40	276.40	12.63
(0, 7, 18)	7	127.79	111.65	2.51	2.42	6	226.71	166.67	13.77	9.69
(0, 7, 19)	2	125.28	124.91	2.12	2.08	4	142.94	139.04	6.37	6.20
(0, 7, 20)	1	128.09	128.09	2.44	2.44	4	139.59	139.23	6.60	5.91
(0, 7, 21)	1	127.51	127.51	2.37	2.37	7	152.44	140.37	7.16	6.07
(0, 7, 22)	1	107.33	107.33	2.24	2.24
(0, 8, 13)	1	146.21	146.21	2.76	2.76	39	160.21	149.95	7.23	5.53
(0, 8, 14)	3	146.16	144.13	2.76	2.53	35	171.44	153.88	7.19	5.79
(0, 8, 15)	2	144.98	144.03	2.62	2.52	50	156.45	150.10	7.57	5.68
(0, 8, 16)	4	144.55	143.51	2.58	2.46	5	185.95	174.73	8.15	7.46	2	185.95	183.59	8.15	7.99	2	236.10	212.85	11.58
(0, 8, 17)	6	144.47	142.67	2.57	2.37	4	248.49	229.86	13.71	12.10	1	195.81	195.81	9.06	9.06	1	293.00	293.00	13.42
(0, 8, 18)	1	143.29	143.29	2.44	2.44	1	249.39	249.39	13.88	13.88
(0, 8, 19)	2	140.26	140.13	2.10	2.08	36	165.56	151.76	6.95	5.95

Fragment 4
Cluster	Rotation Function					Translation Function					Packing					Rigid Body Refinement			Initial CC	Best Trace CC/aa
	#Rots.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Trans.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	After Refinement CC	Cycle	CC	#Res. traced
(0, 0, 0, 7)	2	190.85	190.61	2.41	2.38
(0, 0, 0, 8)	1	203.00	203.00	2.37	2.37
(0, 0, 7, 7)	4	191.68	190.89	2.50	2.41
(0, 0, 7, 15)	3	246.58	245.67	2.41	2.31	3	307.01	289.63	9.93	9.34
(0, 0, 7, 17)	1	281.20	281.20	2.11	2.11	11	299.38	284.24	8.34	6.43
(0, 0, 7, 46)	2	193.00	192.04	2.65	2.54
(0, 0, 7, 47)	3	192.27	190.36	2.57	2.35
(0, 0, 7, 49)	3	191.45	189.88	2.48	2.30	1	275.02	275.02	13.01	13.01	1	275.02	275.02	13.01	13.01	1	342.90	342.90	13.47
(0, 0, 7, 50)	2	191.59	189.67	2.49	2.27
(0, 0, 7, 51)	1	191.36	191.36	2.47	2.47
(0, 0, 7, 52)	4	191.60	190.32	2.49	2.35
(0, 0, 7, 53)	4	193.71	190.58	2.73	2.38
(0, 0, 7, 54)	1	192.37	192.37	2.58	2.58
(0, 0, 7, 55)	2	191.50	190.64	2.48	2.38
(0, 0, 7, 56)	3	191.76	190.43	2.51	2.36
(0, 0, 8, 16)	10	241.18	215.44	2.46	2.23	9	297.18	263.31	9.66	9.07	4	297.18	270.31	9.66	9.06	3	339.20	307.27	12.12
(0, 0, 8, 46)	1	206.11	206.11	2.72	2.72
(0, 0, 8, 47)	3	206.81	205.01	2.79	2.59
(0, 0, 8, 48)	6	205.80	204.44	2.68	2.53	3	292.57	265.63	12.14	10.08	3	292.57	265.63	12.14	10.08	3	342.90	323.80	13.46	2	36.55	183
(0, 0, 8, 49)	2	205.85	205.38	2.69	2.63
(0, 0, 8, 50)	1	204.37	204.37	2.52	2.52
(0, 0, 8, 52)	4	203.45	202.62	2.42	2.33	1	251.52	251.52	9.66	9.66
(0, 0, 8, 53)	2	202.20	201.91	2.28	2.25
(0, 7, 7, 15)	2	246.47	246.26	2.39	2.37	50	254.74	243.57	6.42	5.60
(0, 7, 7, 17)	4	284.46	283.62	2.49	2.39	50	300.98	286.22	6.96	5.93
(0, 7, 15, 46)	1	250.16	250.16	2.81	2.81	50	254.97	242.44	6.78	5.31
(0, 7, 15, 47)	2	247.10	245.86	2.47	2.33	32	257.83	241.95	7.16	5.78
(0, 7, 15, 49)	2	245.88	244.91	2.33	2.22	50	253.96	241.31	6.81	5.68
(0, 7, 15, 50)	1	247.66	247.66	2.53	2.53	39	252.40	240.77	7.09	5.38
(0, 7, 15, 52)	5	247.92	246.66	2.56	2.42	5	381.68	341.67	15.90	12.79	2	316.34	294.26	10.75	9.38	2	448.80	369.15	16.03
(0, 7, 15, 53)	1	244.18	244.18	2.14	2.14	32	254.02	240.54	6.91	5.58
(0, 7, 15, 57)	1	246.17	246.17	2.36	2.36	1	384.09	384.09	16.01	16.01
(0, 7, 17, 46)	4	287.05	284.16	2.78	2.45	18	310.24	291.77	7.63	6.49
(0, 7, 17, 47)	2	284.56	283.44	2.50	2.37	35	297.86	281.72	7.11	5.84
(0, 7, 17, 49)	3	283.75	282.22	2.40	2.23	1	409.91	409.91	15.90	15.90	1	409.91	409.91	15.90	15.90	1	448.90	448.90	16.04
(0, 7, 17, 50)	2	286.54	285.64	2.73	2.62	50	293.89	281.55	7.41	5.55
(0, 7, 17, 51)	2	284.79	283.29	2.52	2.35	37	303.17	285.15	6.95	5.91
(0, 7, 17, 52)	1	283.18	283.18	2.34	2.34	38	293.81	278.02	6.94	5.56
(0, 7, 17, 53)	2	286.68	284.58	2.74	2.50	50	296.66	282.36	6.64	5.57
(0, 7, 17, 54)	2	286.16	284.74	2.68	2.52	27	303.87	286.23	7.31	5.80
(0, 7, 17, 55)	2	285.56	284.37	2.61	2.47	6	315.72	296.13	8.59	6.76
(0, 7, 17, 56)	2	284.63	284.29	2.51	2.47	50	295.68	281.94	6.94	5.59
(0, 8, 16, 16)	2	241.15	241.11	2.37	2.37	32	259.83	240.87	7.14	5.80
(0, 8, 16, 46)	2	244.38	224.03	2.74	2.74	24	248.02	239.58	6.85	5.57
(0, 8, 16, 47)	3	242.13	227.11	2.48	2.32	28	250.14	239.29	7.30	5.78
(0, 8, 16, 49)	3	241.14	214.17	2.55	2.39	24	245.21	237.28	6.68	5.75
(0, 8, 16, 50)	1	242.29	242.29	2.50	2.50	18	250.30	239.04	6.85	5.65
(0, 8, 16, 52)	10	242.67	220.57	2.54	2.35	8	375.92	323.95	15.99	13.85
(0, 8, 16, 53)	3	239.31	225.20	2.17	2.11	29	251.35	239.21	7.06	5.97
(0, 8, 16, 57)	1	241.34	241.34	2.39	2.39	1	383.51	383.51	16.32	16.32
(0, 8, 17, 46)	2	309.89	308.57	2.88	2.73	12	332.27	313.21	7.49	6.17
(0, 8, 17, 47)	3	308.91	306.95	2.77	2.55	24	330.69	311.95	7.17	6.05
(0, 8, 17, 48)	7	308.78	306.95	2.76	2.55	5	416.74	362.82	13.82	9.91	5	416.74	362.82	13.82	9.91	5	450.10	409.92	16.03
(0, 8, 17, 49)	2	307.29	306.56	2.59	2.50	50	311.25	302.42	6.32	5.51
(0, 8, 17, 50)	1	306.01	306.01	2.45	2.45	28	315.40	302.14	7.44	5.58
(0, 8, 17, 51)	1	305.64	305.64	2.40	2.40	7	327.21	310.60	7.27	6.40
(0, 8, 17, 52)	1	305.11	305.11	2.34	2.34	9	324.83	308.06	7.36	6.24
(0, 8, 17, 53)	1	303.72	303.72	2.19	2.19	20	320.92	305.91	7.02	5.84

Fragment 5
Cluster	Rotation Function					Translation Function					Packing					Rigid Body Refinement			Initial CC	Best Trace CC/aa
	#Rots.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Trans.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	After Refinement CC	Cycle	CC	#Res. traced
(0, 0, 0, 7, 49)	2	320.51	320.10	2.35	2.30
(0, 0, 0, 8, 16)	4	317.17	294.68	2.42	2.34
(0, 0, 0, 8, 48)	6	321.12	301.46	2.44	2.33
(0, 0, 7, 7, 49)	6	322.33	321.07	2.55	2.41
(0, 0, 7, 15, 52)	1	292.47	292.47	2.29	2.29
(0, 0, 7, 49, 116)	2	323.98	322.47	2.73	2.56
(0, 0, 7, 49, 117)	2	324.44	323.69	2.78	2.70
(0, 0, 7, 49, 118)	4	323.57	321.11	2.69	2.42
(0, 0, 7, 49, 121)	3	322.86	321.16	2.61	2.42
(0, 0, 7, 49, 122)	2	321.42	320.06	2.45	2.30
(0, 0, 7, 49, 123)	3	322.34	321.07	2.55	2.41
(0, 0, 7, 49, 124)	3	321.58	320.81	2.47	2.38	1	390.25	390.25	11.08	11.08
(0, 0, 7, 49, 126)	2	320.82	320.31	2.38	2.33
(0, 0, 8, 16, 16)	9	318.90	304.69	2.55	2.38
(0, 0, 8, 16, 116)	5	319.92	298.97	2.75	2.59
(0, 0, 8, 16, 117)	5	321.15	299.50	2.88	2.65
(0, 0, 8, 16, 118)	8	317.72	291.82	2.87	2.37
(0, 0, 8, 16, 121)	4	319.27	305.95	2.59	2.35
(0, 0, 8, 16, 122)	3	318.33	293.56	2.49	2.45
(0, 0, 8, 16, 123)	5	319.04	296.97	2.56	2.37
(0, 0, 8, 16, 124)	10	317.91	290.39	2.49	2.32	2	383.86	376.78	12.01	11.44
(0, 0, 8, 16, 126)	5	317.83	293.89	2.63	2.39
(0, 0, 8, 16, 128)	1	269.71	269.71	2.04	2.04
(0, 0, 8, 48, 48)	10	322.84	318.43	2.55	2.40
(0, 0, 8, 48, 116)	5	324.60	310.18	2.73	2.58
(0, 0, 8, 48, 117)	5	325.11	310.99	2.81	2.67
(0, 0, 8, 48, 118)	7	321.22	303.96	2.41	2.29
(0, 0, 8, 48, 121)	8	323.45	306.10	2.60	2.39
(0, 0, 8, 48, 122)	4	322.03	306.74	2.48	2.37
(0, 0, 8, 48, 123)	6	322.95	310.78	2.56	2.40
(0, 0, 8, 48, 124)	9	322.09	301.59	2.45	2.34	2	390.06	385.48	11.19	11.10
(0, 0, 8, 48, 126)	6	321.47	302.01	2.62	2.39
(0, 7, 7, 15, 52)	6	454.71	426.74	2.52	2.38	26	474.06	451.57	7.84	6.35
(0, 7, 7, 17, 49)	4	454.14	453.17	2.50	2.40	50	462.81	443.67	6.79	5.93
(0, 7, 15, 52, 116)	3	458.06	403.70	2.92	2.78	22	469.13	448.22	7.38	6.00
(0, 7, 15, 52, 117)	3	457.25	402.52	2.80	2.65	24	466.02	446.45	7.46	5.98
(0, 7, 15, 52, 118)	3	456.46	453.54	2.71	2.39	50	455.66	443.17	6.91	5.83
(0, 7, 15, 52, 119)	1	453.35	453.35	2.37	2.37	6	477.35	453.54	8.12	6.49
(0, 7, 15, 52, 120)	2	455.12	454.12	2.56	2.45	50	459.60	442.67	7.16	5.74
(0, 7, 15, 52, 121)	2	454.87	454.43	2.54	2.49	50	451.19	440.95	6.72	5.60
(0, 7, 15, 52, 122)	2	454.32	374.06	2.47	2.46	13	465.68	444.48	7.24	6.03
(0, 7, 15, 52, 123)	2	454.25	373.56	2.47	2.40	15	460.78	444.30	7.16	6.05
(0, 7, 15, 52, 124)	1	453.44	453.44	2.38	2.38	50	450.38	435.47	6.49	5.51
(0, 7, 15, 52, 126)	2	452.77	372.36	2.30	2.26	23	456.16	438.06	7.54	5.79
(0, 7, 15, 52, 127)	3	292.40	292.22	2.28	2.26	3	407.07	399.88	14.27	13.83
(0, 7, 17, 49, 116)	3	457.60	455.08	2.89	2.61	42	466.41	445.44	7.23	5.93
(0, 7, 17, 49, 117)	2	456.71	455.66	2.79	2.67	39	462.58	442.63	7.40	5.74
(0, 7, 17, 49, 118)	3	455.89	453.03	2.70	2.38	50	455.18	442.72	7.01	5.85
(0, 7, 17, 49, 119)	1	452.87	452.87	2.36	2.36	3	478.11	458.72	8.66	6.99
(0, 7, 17, 49, 120)	2	454.63	453.63	2.56	2.45	50	459.02	442.19	7.16	5.78
(0, 7, 17, 49, 121)	2	454.41	453.95	2.53	2.48	50	450.53	440.00	6.68	5.60
(0, 7, 17, 49, 122)	1	453.77	453.77	2.46	2.46	15	463.83	443.09	7.15	5.91
(0, 7, 17, 49, 123)	1	453.67	453.67	2.45	2.45	16	459.42	443.05	7.10	6.01
(0, 7, 17, 49, 124)	1	453.03	453.03	2.38	2.38	50	450.61	435.31	6.57	5.50
(0, 7, 17, 49, 126)	1	452.41	452.41	2.31	2.31	20	457.03	438.93	7.61	5.83
(0, 8, 17, 48, 48)	15	457.86	451.76	2.54	2.38	87	479.46	442.97	8.15	6.26
(0, 8, 17, 48, 116)	14	460.90	416.48	2.88	2.64	143	470.12	413.80	7.49	5.90
(0, 8, 17, 48, 117)	8	460.14	431.87	2.79	2.61	114	471.70	427.98	8.04	5.86	2	382.60	372.81	8.04	7.97	2	498.40	486.55	15.93	3	36.5	182
(0, 8, 17, 48, 118)	6	459.28	455.02	2.70	2.38	100	459.13	444.68	6.96	5.88
(0, 8, 17, 48, 119)	8	456.39	418.91	2.60	2.43	42	481.45	404.21	8.79	6.45	1	468.46	468.46	7.64	7.64	1	504.80	504.80	15.75
(0, 8, 17, 48, 120)	2	457.67	456.32	2.52	2.52	60	460.45	442.88	7.19	5.68
(0, 8, 17, 48, 121)	9	457.94	434.07	2.56	2.43	200	455.27	419.31	6.86	5.60
(0, 8, 17, 48, 122)	7	457.21	426.21	2.58	2.41	104	465.27	429.97	7.22	5.90
(0, 8, 17, 48, 123)	8	457.36	429.07	2.49	2.30	134	465.57	421.31	7.25	5.77
(0, 8, 17, 48, 124)	5	456.23	412.34	2.45	2.34	145	453.69	431.64	7.05	5.51
(0, 8, 17, 48, 125)	8	452.97	396.63	2.38	2.28	118	456.85	400.94	7.23	5.74
(0, 8, 17, 48, 126)	8	454.98	396.33	2.55	2.36	124	458.53	404.38	7.53	5.69

Fragment 6
Cluster	Rotation Function					Translation Function					Packing					Rigid Body Refinement			Initial CC	Best Trace CC/aa
	#Rots.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Trans.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	Top Zscore	Mean Zscore	#Sol.	Top LLG	Mean LLG	After Refinement CC	Cycle	CC	#Res. traced
(0, 0, 8, 17, 48, 117)	2	502.28	490.77	2.26	2.24	4	515.37	492.55	8.76	7.44
(0, 8, 17, 17, 48, 117)	1	503.64	503.64	2.37	2.37	23	486.20	473.64	7.03	5.65
(0, 8, 17, 48, 48, 117)	2	502.33	490.66	2.23	2.23	16	481.64	472.80	6.21	5.50
(0, 8, 17, 48, 48, 119)	4	503.87	502.76	2.53	2.41	50	501.35	479.33	7.01	5.83
(0, 8, 17, 48, 117, 117)	5	503.48	493.52	2.35	2.29	50	492.66	475.94	6.71	5.60
(0, 8, 17, 48, 117, 222)	4	508.06	495.01	2.90	2.72	53	492.84	480.23	7.18	5.86
(0, 8, 17, 48, 117, 223)	2	503.87	492.32	2.43	2.42	26	489.93	475.65	6.73	5.58
(0, 8, 17, 48, 117, 227)	4	504.61	492.42	2.48	2.43	50	495.36	476.05	6.57	5.51
(0, 8, 17, 48, 117, 228)	4	504.76	491.77	2.52	2.36	52	492.54	477.29	6.95	5.75
(0, 8, 17, 48, 117, 229)	6	505.37	492.79	2.59	2.47	19	514.25	486.47	7.71	6.50	2	514.25	501.77	7.71	7.62	2	534.00	521.30	16.04
(0, 8, 17, 48, 117, 230)	2	481.05	480.87	2.46	2.44
(0, 8, 17, 48, 117, 232)	2	503.23	491.53	2.33	2.33	17	500.90	477.78	7.06	5.79
(0, 8, 17, 48, 119, 222)	3	506.29	504.49	2.81	2.60	50	496.22	476.03	7.05	5.58
(0, 8, 17, 48, 119, 223)	2	506.25	504.86	2.80	2.65	19	503.48	482.59	7.55	5.97
(0, 8, 17, 48, 119, 224)	2	504.68	503.43	2.62	2.49	25	499.69	480.57	7.29	5.79
(0, 8, 17, 48, 119, 225)	1	504.51	504.51	2.61	2.61	29	496.28	477.27	7.24	5.76
(0, 8, 17, 48, 119, 226)	1	503.89	503.89	2.54	2.54	29	492.98	475.50	6.86	5.56
(0, 8, 17, 48, 119, 227)	2	503.76	503.62	2.52	2.50	28	501.63	479.64	6.83	5.76
(0, 8, 17, 48, 119, 228)	3	503.22	501.48	2.46	2.27	42	495.12	476.39	6.87	5.68
(0, 8, 17, 48, 119, 229)	1	502.61	502.61	2.39	2.39	17	492.44	474.81	6.82	5.65
(0, 8, 17, 48, 119, 230)	2	502.42	501.31	2.37	2.25	32	488.40	476.42	6.91	5.90
(0, 8, 17, 48, 119, 231)	2	501.92	501.33	2.32	2.25	43	492.16	474.62	6.91	5.71
(0, 8, 17, 48, 119, 232)	1	500.93	500.93	2.20	2.20	15	493.74	477.41	7.05	5.88

The current best solution is: th10_0_0xx4FR3_7-1.pdb with FINALCC: 36.55 and n. residues traced 183
file is: gr/10_6/8_EXP_LIBRARY/2/0/th10_0_0xx4FR3_7-1.pdb

• FRF: Pos. in Rank: 107 LLG: 204.85 ZSCORE: 2.57 Top LLG in Cluster (0, 0, 8, 48): 309.89 Top ZSCORE in Cluster (0, 0, 8, 48): 2.88
• REFINEMENT ROTATION AND MODEL

FTF: Pos. in Rank: 556 LLG: 292.57 ZSCORE: 12.14 Top LLG in Cluster (0, 0, 8, 48): 416.74 Top ZSCORE in Cluster (0, 0, 8, 48): 16.32

PACK: Pos. in Rank: 13 LLG: 292.57 ZSCORE: 12.14 Top LLG in Cluster (0, 0, 8, 48): 416.74 Top ZSCORE in Cluster (0, 0, 8, 48): 15.90

RNP: Pos. in Rank: 9 LLG: 342.90 ZSCORE: 0.00 Top LLG in Cluster (0, 0, 8, 48): 450.10 Top ZSCORE in Cluster (0, 0, 8, 48): 0.00

INITIAL CC

• After Refinement: Pos. in Rank: 8 INITCC: 13.46 Top INITCC in Cluster (0, 0, 8, 48): 16.04

EXPANSION

Cycle 2:

Final CC: 36.55% N. Residues Traced: 183.00

It seems you have a good solution!
Here you can find the best solution and map for further refinement.

Time MODE: ARCIMBOLDO-CLUSTERS STEP: FRF 2014-08-10 10:03
Time MODE: ARCIMBOLDO STEP: TABLE 2014-08-10 10:03
Time MODE: ARCIMBOLDO STEP: FTF 2014-08-10 10:04
Time MODE: ARCIMBOLDO STEP: PACK 2014-08-10 10:04
Time MODE: ARCIMBOLDO STEP: RNP 2014-08-10 10:04
Time MODE: ARCIMBOLDO STEP: INITCC 2014-08-10 10:04
Time MODE: ARCIMBOLDO STEP: TABLE 2014-08-10 10:05
Time MODE: ARCIMBOLDO STEP: FTF 2014-08-10 10:06
Time MODE: ARCIMBOLDO STEP: PACK 2014-08-10 10:06
Time MODE: ARCIMBOLDO STEP: RNP 2014-08-10 10:06
Time MODE: ARCIMBOLDO STEP: INITCC 2014-08-10 10:06
Time MODE: ARCIMBOLDO STEP: TABLE 2014-08-10 10:06
Time MODE: ARCIMBOLDO STEP: FTF 2014-08-10 10:07
Time MODE: ARCIMBOLDO STEP: PACK 2014-08-10 10:07
Time MODE: ARCIMBOLDO STEP: RNP 2014-08-10 10:07
Time MODE: ARCIMBOLDO STEP: INITCC 2014-08-10 10:07
Time MODE: ARCIMBOLDO STEP: TABLE 2014-08-10 10:07
Time MODE: ARCIMBOLDO STEP: FTF 2014-08-10 10:09
Time MODE: ARCIMBOLDO STEP: PACK 2014-08-10 10:09
Time MODE: ARCIMBOLDO STEP: RNP 2014-08-10 10:09
Time MODE: ARCIMBOLDO STEP: INITCC 2014-08-10 10:09
Time MODE: ARCIMBOLDO STEP: TABLE 2014-08-10 10:10
Time MODE: ARCIMBOLDO STEP: FTF 2014-08-10 10:12
Time MODE: ARCIMBOLDO STEP: PACK 2014-08-10 10:12
Time MODE: ARCIMBOLDO STEP: RNP 2014-08-10 10:13
Time MODE: ARCIMBOLDO STEP: INITCC 2014-08-10 10:13
Time MODE: ARCIMBOLDO STEP: TABLE 2014-08-10 10:13
Time MODE: ARCIMBOLDO STEP: FTF 2014-08-10 10:14
Time MODE: ARCIMBOLDO STEP: PACK 2014-08-10 10:14
Time MODE: ARCIMBOLDO STEP: RNP 2014-08-10 10:14
Time MODE: ARCIMBOLDO STEP: INITCC 2014-08-10 10:14
Time MODE: ARCIMBOLDO STEP: FAST_1 2014-08-10 10:47
Time MODE: ARCIMBOLDO STEP: FAST_2 2014-08-10 11:13
Time MODE: ARCIMBOLDO STEP: FAST_3 2014-08-10 11:40

In case this result is helpful, please, cite

Sammito, M., Millán, C., Rodríguez, D. D., M. de Ilarduya, I., Meindl, K., De Marino, I., Petrillo, G., Buey, R. M., de Pereda, J. M., Zeth, K., Sheldrick, G. M. & Usón, I.
"Exploiting tertiary structure through local folds for crystallographic phasing"
Nat Methods. 10, 1099-1101. Nature Methods (2013) doi:10.1038/nmeth.2644

Crystallographic Methods Group.
Department Structural Biology.
Instituto de Biologia Molecular de Barcelona