8AMO
Crystal structure of M. tuberculosis CYP143
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.972 |
Spacegroup name | P 1 |
Unit cell lengths | 42.210, 48.530, 54.150 |
Unit cell angles | 111.65, 99.50, 109.34 |
Refinement procedure
Resolution | 27.780 - 1.400 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.19950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dxy |
RMSD bond length | 0.006 |
RMSD bond angle | 0.875 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | MoRDa |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.780 | 27.780 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmeas | 0.068 | 0.025 | 9.768 |
Number of reflections | 62494 | 774 | 4500 |
<I/σ(I)> | 14.03 | 55.89 | 0.19 |
Completeness [%] | 88.8 | 97.5 | 86.6 |
Redundancy | 7.5 | 7.7 | 7.4 |
CC(1/2) | 1.000 | 1.000 | 0.243 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M NaCl, 0.1 M BisTris, 18% (w/v) PEG 3350 |