[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3182-o3183
[ doi:10.1107/S1600536812043000 ]

Cyclo(-L-prolyl-L-valinyl-) from Burkholderia thailandensis MSMB43

X.-Y. Liu, C. Wang and Y.-Q. Cheng


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C4A -- C5A .. 5.8 su PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 69.53 From the CIF: _reflns_number_total 3668 Count of symmetry unique reflns 2187 Completeness (_total/calc) 167.72% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1481 Fraction of Friedel pairs measured 0.677 Are heavy atom types Z>Si present no PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 7 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 75 C3A -C2A -C3B 1.555 1.555 1.555 15.00 Deg. PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C7A (Verify) S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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