addenda and errata\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983

Structure of ristocetin A in complex with a bacterial cell-wall mimetic. Corrigendum.

aDepartment of Biochemistry and Molecular Biology, Drexel University College of Medicine, Philadelphia, PA 19102, USA
*Correspondence e-mail: ploll@drexelmed.edu

(Received 3 March 2011; accepted 4 March 2011)

Two errors in sugar stereochemistry in the structure of ristocetin A have been corrected and the structure has been re-refined.

For the ristocetin structure described in the article by Nahoum et al. (2009[Nahoum, V., Spector, S. & Loll, P. J. (2009). Acta Cryst. D65, 832-838.]), a disordered arabinose sugar was incorrectly modelled in the pyranose form and an incorrect stereochemistry was used for the ristosamine sugar. These errors have been corrected and the structure has been rerefined, yielding Rcryst/Rfree values of 0.166/0.189. A corrected version of Fig. 1 of the original article is given here (Fig. 1[link]), reflecting the proper stereochemistry. The conclusions of the original paper are unaffected by these changes.

[Figure 1]
Figure 1
The corrected structure of the class III antibiotic ristocetin.

Supporting information


Computing details top

Ristocetin A top
Crystal data top
C95H110N8O44c = 64.15 Å
Trigonal, P3121T = 100 K
a = 22.65 Å
Data collection top
Radiation source: synchrotron, NSLS beamline X6Ak =
h = l =
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/BeqOcc. (<1)
1C10.367550.706840.859050.50
1C1B0.601071.323900.884710.50
1C20.373010.683590.880830.50
1C2B0.554891.352960.890650.50
1O20.351760.613800.880130.50
1O2B0.569751.410060.878380.50
1C30.323340.689860.895080.50
1C3B0.562911.373760.913360.50
1O30.324610.665030.915090.50
1O3B0.526611.408020.917140.50
1C40.252060.650250.885880.50
1C4B0.637961.419590.918460.50
1O40.208160.662230.898400.50
1O40.644531.431670.940170.50
1C50.250110.671250.863360.50
1C5B0.680171.387980.910960.50
1C60.181590.626750.852490.50
1C6B0.756341.434630.914520.50
1O50.300450.667120.851420.50
1O5B0.669131.372790.889400.50
2C10.476660.984930.856250.50
2C1B0.509901.049470.887610.50
2C20.553301.009560.855670.50
2C2B0.561451.024190.888720.50
2C30.571980.969740.840300.50
2C3B0.619411.068490.903750.50
2O30.638440.983200.844640.50
2O3B0.671721.051870.903010.50
2C40.521200.892910.840740.50
2C4B0.648801.144040.898650.50
2O40.533010.860900.823580.50
2O4B0.698701.185130.913520.50
2C50.447990.879560.839970.50
2C50.592011.162040.897620.50
2C6B0.393400.804360.840470.50
2C60.618141.233360.889160.50
2O60.397110.775410.859770.50
2O6B0.577721.263080.894020.50
2O50.436510.912490.857000.50
2O5B0.542461.119620.883010.50
3C10.610511.126450.866260.50
3C1B0.506380.907600.877480.50
3O10.590721.075470.851170.50
3O10.532450.957350.893460.50
3C20.639871.192070.853910.50
3C2B0.460680.836680.886460.50
3C30.704941.205730.842780.50
3C3B0.502370.813840.899260.50
3O30.734901.268380.832060.50
3O3B0.460990.744770.905480.50
3C40.755401.208020.858850.50
3C4B0.562550.823120.886180.50
3O40.813401.214700.848530.50
3O4B0.605360.805330.897290.50
3C50.723441.142770.871810.50
3C5B0.603760.894240.876980.50
3C60.768811.148120.890060.50
3C6B0.657960.895510.862760.50
3O60.784401.207210.901670.50
3O6B0.694960.960870.854020.50
3O50.659511.127580.880290.50
3O5B0.560580.911010.865590.50
4O30.724291.376000.895440.50
4O3B0.367600.645410.878510.50
4C30.655421.329300.901330.50
4C3B0.308430.652440.875720.50
4C20.609831.310440.882050.50
4C2B0.316940.715910.886820.50
4O20.545921.304370.887660.50
4O2B0.251520.709740.889810.50
4C10.599161.240340.876390.50
4C1B0.357240.772140.870890.50
4O10.658311.246870.866240.50
4O1B0.427860.792590.871060.50
4O40.593651.209910.896260.50
4O4B0.330650.740940.850950.50
4C40.649721.261550.908050.50
4C4B0.303040.667530.852900.50
4C50.629941.244520.930950.50
4C50.227130.631130.847830.50
4O50.605781.173510.933770.50
4O5B0.218470.641530.826350.50
2C0.466341.450130.85184
2O0.482941.406950.85492
2CH30.470271.479800.83064
3N0.434541.465010.86568
3CA0.425431.437530.88654
3CB0.400091.475060.90074
3CG0.457961.544180.90753
3CD0.435131.583900.92122
3CE0.385651.542600.93869
3NZ0.419311.541130.95857
3C0.376391.360910.88683
3O0.337011.331140.87263
4N0.379961.330430.90389
4CA0.333801.258950.90789
4CB0.269191.249010.91799
4C0.370091.233770.92220
4O0.420211.275110.93215
5N0.345241.166680.92325
5CA0.376881.136550.93559
5CB0.424951.124770.92215
5C0.324411.070270.94585
5O0.346791.047230.95943
5OXT0.263971.043000.94025
1O190.065701.187480.95450
1C620.071941.191200.93252
1C630.001161.150310.92253
1O200.031741.080370.92914
1C640.041621.182280.92822
1O210.104411.145270.91765
1C650.002111.258650.92172
1C660.033441.302130.92770
1O230.039481.303920.94993
1O220.066761.294840.93106
1C610.108281.266190.92655
1O80.118701.266450.90481
1C280.158531.327470.89497
1C270.168211.320080.87371
1C250.136951.251200.86540
1C260.176391.219800.86443
1C210.151171.153470.85683
1C220.083391.116610.85033
1C230.041751.145930.85184
1C240.069041.212510.85934
1O70.026721.239220.86057
1C290.188901.390680.90501
1C300.230511.447680.89319
1O90.260001.509670.90269
1C310.241611.443400.87215
1C320.211031.379670.86222
1C330.224161.372740.83916
1C440.255101.438500.82772
1O100.316181.472000.82328
1O110.208511.457370.82450
1C450.229271.517160.81263
1N20.265401.339810.83793
1C340.256211.296520.82277
1O120.222581.290100.80698
1C350.289101.252370.82677
1N30.242711.183350.81901
1C360.208891.125690.82995
1O130.178351.070430.82111
1C200.202701.129460.85380
1N10.185421.063290.86228
1C190.208051.058400.88089
1O60.235611.106720.89305
1C180.202710.990240.88576
1N50.178570.970910.90708
1C170.123410.911620.91146
1O50.088830.869060.89813
1C160.102730.897300.93392
1N40.157140.905100.94841
1C150.148570.854220.96092
1O40.100980.794730.95894
1C560.068320.934510.94320
1C550.106160.997830.95240
1C570.002870.901990.94427
1C580.034480.933340.95456
1O180.103380.903160.95554
1C590.003830.995640.96430
1C600.030391.029640.97587
1C540.073841.026790.96320
1O170.108361.088320.97316
1C520.174471.111670.97899
1C530.195491.068950.98795
1C510.221181.179580.97526
1O160.197771.218680.96683
1C500.289181.204050.98034
1C490.311051.161890.98901
1C480.263811.093880.99291
1C470.288551.048711.00292
1N60.299851.062581.02558
1C460.236840.972751.00011
1O150.193220.943081.01350
1N70.242790.943950.98295
1C140.198680.870740.97899
1C130.239600.831430.97743
1O30.280410.847080.99550
1C100.278600.850810.95729
1C90.250220.811700.93941
1C80.282160.832400.92016
1C110.340530.910910.95587
1C120.373380.932370.93692
1C70.343460.894600.91913
1O20.375480.919780.90029
1C50.354520.960510.89011
1C40.400281.006290.87569
1O260.462881.011850.87310
1C60.291070.956180.89360
1C10.273450.997680.88239
1C20.318571.042800.86753
1C30.382161.047590.86456
1O10.429791.092350.85037
1C410.417181.140680.84183
1C420.392261.130840.82180
1C430.376131.177690.81287
1C400.428101.197570.85332
1C390.412161.243910.84429
1C380.385771.233970.82426
1C370.360751.279900.81617
1O140.343561.273430.79486
1C670.400721.310490.78111
1C710.373111.284140.75957
1O240.426621.381350.78322
1C700.379511.404750.77739
1C720.419111.482910.77865
1C690.351931.381300.75529
1O250.301141.400170.75125
1C680.320921.304170.75225
1N80.255061.267820.76344
WO10.852411.022250.824850.50
WO20.924120.987840.861030.50
WO30.911121.162290.87809
WO40.029611.380540.86817
WO50.090091.272360.79614
WO60.209071.393230.78021
WO70.399310.571330.851880.50
WO80.401230.614460.806160.50
WO90.274110.669110.95026
WO100.415940.790900.94169
WO110.513020.931560.96510
WO120.542411.061150.95123
WO130.471161.096320.97420
WO140.388820.978871.01214
WO150.065430.832761.02178
WO160.045220.671460.97632
WO170.112170.633780.95071
WO180.109030.510160.92451
WO190.104650.498840.88554
WO200.845701.410260.807830.50
WO210.809391.383900.851420.50
WO220.888131.151890.84471
WO230.283781.350150.96685
WO240.410881.399610.94725
WO250.485151.303460.97073
WO260.474810.871660.897960.50
WO270.836921.336440.90308
WO280.900361.342710.86905
WO290.193101.400320.96318
WO300.209781.469450.96133
WO310.218411.508700.94072
WO320.159870.986560.94323
WO330.059860.780760.99567
WO340.150720.815371.003730.50
WO350.887031.323900.81745
WO360.358901.428001.00045
WO370.108331.446860.97514
WO380.544710.988150.920160.50
WO390.046080.902800.87919
WO400.024411.023470.89813
WO410.132780.724020.93003
WO420.261551.512680.98332
WO430.304431.150520.953950.50
IPO20.175211.228210.964020.50
IPC20.236651.168210.958900.50
IPC30.221081.128090.942930.50
IPC10.264121.126150.978740.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
1C10.11410.05820.15660.03130.01110.0126
1C1B0.11900.06850.13100.04810.01460.0008
1C20.15050.09610.15650.02500.00600.0107
1C2B0.13250.05300.15690.04220.00030.0015
1O20.17160.07840.17520.02470.00170.0035
1O2B0.14480.07480.18900.02530.00360.0220
1C30.13090.07240.13710.02400.00760.0009
1C3B0.14340.08560.14920.04190.01610.0002
1O30.16490.11210.15090.00630.00950.0149
1O3B0.18020.06970.17710.02130.01050.0115
1C40.16330.02870.16170.00980.00210.0064
1C4B0.16080.06860.16270.02730.00020.0188
1O40.16130.06450.14470.00600.01250.0057
1O4B0.20150.14660.17730.02270.00320.0284
1C50.12530.07100.15640.03020.00700.0091
1C5B0.14640.07690.16070.02720.00950.0081
1C60.11860.04050.16350.00960.00120.0167
1C6B0.16690.08390.17840.02590.00400.0237
1O50.11970.03540.15100.03050.00380.0073
1O5B0.12870.09870.15500.05260.01410.0058
2C10.09020.03620.12890.01010.00100.0021
2C1B0.09620.05660.13360.00370.00620.0011
2C20.09090.04990.15140.00080.00100.0012
2C2B0.10500.11830.14750.01130.00110.0049
2C30.09620.09920.14270.00460.00190.0104
2C3B0.12010.14120.16660.00710.00730.0147
2O30.10130.13660.18550.00140.00300.0109
2O3B0.15230.18960.19410.01210.00780.0153
2C40.10450.06910.13990.01770.00080.0077
2C4B0.12900.14110.15970.00310.01420.0080
2O40.13330.12880.16350.01360.02090.0262
2O4B0.15660.17750.19310.01770.03230.0212
2C50.11070.05380.13060.01510.00080.0147
2C5B0.11230.08860.14290.00790.01310.0140
2C60.13040.02780.13890.01040.00280.0045
2C6B0.14200.04690.15220.01330.02590.0340
2O60.13170.04310.13890.04340.01580.0026
2O6B0.10710.07130.12560.04020.01610.0120
2O50.09660.04290.12840.01960.00960.0001
2O5B0.09500.07570.12790.01250.01170.0077
3C10.12380.08920.16090.01390.01110.0084
3C1B0.12320.11360.15790.02250.00480.0006
3O10.11680.06170.15890.02160.01100.0029
3O1B0.12790.12940.14730.03680.00040.0034
3C20.12400.07760.17200.01700.00840.0177
3C2B0.15350.11550.16300.03100.00330.0013
3C30.10330.09010.18860.03970.00130.0055
3C3B0.17940.12630.17390.02850.00530.0112
3O30.19090.11010.20070.04080.00320.0142
3O3B0.17780.14290.20570.03630.01620.0239
3C40.10660.13880.19210.01470.00350.0034
3C4B0.12840.11650.18770.05740.00850.0099
3O40.11780.17510.21980.01810.00060.0020
3O4B0.15930.19840.22640.04760.01580.0117
3C50.10160.13300.17690.00970.01240.0023
3C5B0.13750.15320.18650.03900.00190.0032
3C60.13420.14980.17920.01570.01610.0050
3C6B0.14750.18740.19190.02060.00520.0022
3O60.18430.16300.21350.00060.01270.0086
3O6B0.15710.21610.21770.00290.00530.0009
3O50.11920.10980.16020.02080.01460.0043
3O5B0.10700.13990.17850.04030.00390.0078
4O30.40960.41210.40520.00170.00240.0020
4O3B0.25580.26500.26270.01620.00220.0039
4C30.40830.41880.41000.00050.00040.0013
4C3B0.23050.22060.21990.01350.00680.0038
4C20.40420.41670.40960.00080.00030.0014
4C2B0.19940.20250.19010.01400.00840.0083
4O20.40010.40540.41210.00110.00190.0019
4O2B0.21240.12560.19480.01980.02090.0002
4C10.39670.41270.40370.00100.00110.0003
4C1B0.16610.15550.17890.02000.00660.0050
4O10.38250.37750.39090.00290.00460.0041
4O1B0.14410.11660.15130.04400.00020.0070
4O40.40060.41010.40640.00020.00000.0004
4O4B0.17300.17020.18260.02570.00450.0140
4C40.40810.41930.41160.00070.00150.0004
4C4B0.22870.21090.23200.01710.00080.0018
4C50.41630.42420.41690.00110.00060.0011
4C5B0.22650.24370.23880.01190.00390.0024
4O50.42510.42450.41810.00070.00160.0043
4O5B0.26580.26900.26310.00360.00280.0043
2C0.26200.04200.19200.03740.03210.0162
2O0.26890.06680.20820.03640.03540.0038
2CH30.27570.09380.19610.03090.02640.0081
3N0.25070.05190.17400.03530.02060.0142
3CA0.23470.04240.16330.03420.00640.0041
3CB0.23080.05830.17530.04510.00770.0005
3CG0.26650.11070.22410.03240.00040.0233
3CD0.28180.12040.27060.03890.00330.0324
3CE0.31120.26210.29050.01210.00660.0034
3NZ0.33880.31860.32130.00120.00640.0112
3C0.20800.03680.13640.04060.00230.0009
3O0.23540.04730.14490.04420.01550.0112
4N0.17240.03650.13970.02260.00210.0097
4CA0.14920.03160.12660.02000.00450.0016
4CB0.13380.08030.13830.03580.00280.0019
4C0.14180.04020.12180.00680.00000.0006
4O0.16640.04600.15390.00250.02550.0032
5N0.11310.03540.12050.00470.00120.0034
5CA0.11120.03800.12510.00060.00150.0015
5CB0.11730.05280.13750.01410.00160.0033
5C0.09530.04020.10780.01180.00750.0002
5O0.09390.05520.12220.01130.00010.0029
5OXT0.10360.04560.10510.00500.00080.0056
1O190.12150.10510.11940.01340.00660.0006
1C620.13800.11190.11800.03520.00360.0025
1C630.17160.14740.13240.01620.02290.0134
1O200.21520.12330.17360.01160.03120.0082
1C640.15600.19300.15550.01600.02190.0133
1O210.17860.26710.20490.00740.04150.0231
1C650.15140.20730.15230.04110.01550.0121
1C660.15700.23780.19440.05600.02570.0202
1O230.13880.25840.19400.05130.01320.0302
1O220.15390.14600.12440.06190.00390.0028
1C610.13850.11560.12150.05830.00360.0031
1O80.16920.10770.12050.06070.00980.0050
1C280.17270.09930.12910.07410.00060.0091
1C270.16880.08820.12670.07180.01170.0140
1C250.17120.09030.12070.06740.00830.0177
1C260.16320.07050.11230.05460.01200.0145
1C210.13800.07190.10340.04320.00720.0064
1C220.12740.10540.13960.02130.00140.0020
1C230.14330.15410.15510.03370.00570.0035
1C240.14830.12870.13780.06520.00150.0039
1O70.16030.20570.18100.07400.00490.0089
1C290.16890.10200.15110.06650.01090.0032
1C300.19720.09000.14800.07830.01120.0041
1O90.26130.08110.16800.07610.02420.0056
1C310.20360.08590.14190.07330.01300.0112
1C320.19940.10490.13950.07520.00890.0112
1C330.20030.10690.13760.07780.00720.0174
1C440.21370.09800.18540.07450.00710.0142
1O100.24900.09240.21550.07210.01200.0307
1O110.23760.14170.20280.12270.00680.0264
1C450.24050.15770.23980.07900.00470.0432
1N20.19580.06700.13630.08020.00460.0037
1C340.16930.06580.11760.05890.00610.0118
1O120.17220.09670.13180.07280.00640.0097
1C350.15820.03910.12300.04260.00780.0009
1N30.12610.03870.11890.03500.00010.0105
1C360.12480.03260.11620.02610.00580.0077
1O130.13410.03900.11590.02090.00660.0047
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References

First citationNahoum, V., Spector, S. & Loll, P. J. (2009). Acta Cryst. D65, 832–838.  Web of Science CrossRef IUCr Journals

© International Union of Crystallography. Prior permission is not required to reproduce short quotations, tables and figures from this article, provided the original authors and source are cited. For more information, click here.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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