Table 1 Data reduction and final structural refinement statistics for Mycobacterium tuberculosis CYP144A1.
CYP144A1 (PDB 5HDI) | |
|---|---|
Data collection | |
X-ray Source | Diamond, IO3 |
Wavelength, Å | 1.0 |
Space group | P212121 |
Cell dimensions | |
a, b, c (Å) | 58.30, 117.78, 122.09 |
Molecules per asymmetric unit | 2 |
Rmerge (%) | 9.7 (80.7) |
I/σI | 10.4 (2.3) |
CC (1/2) | 99.9 (67.5) |
Completeness (%) | 98.7 (97.1) |
Redundancy | 4.4 (4.4) |
Wilson B factor (Å2) | 15.7 |
Refinement | |
Resolution (Å) | 88.58-1.54 (1.58–1.54) |
No. reflections | 116903 (8401) |
Rwork/Rfree | 13.76/19.24 (21.4/28.3) |
No. non-hydrogen atoms | 6850 |
Mean B factor (Å2) | 22.5 |
R.m.s. deviations | |
Bond lengths (Å) | 0.019 |
Bond angles (º) | 1.872 |
Ramachandran plot | |
Favourable regions (%) | 96.7 |
Allowed regions (%) | 2.9 |
Outliers (%) | 0.4 |
