8A6W
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 65.810, 128.130, 146.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.700 - 2.090 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xkr |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.620 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.700 | 2.140 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmeas | 0.224 | 1.464 |
| Number of reflections | 74246 | 5417 |
| <I/σ(I)> | 6 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277.15 | 2.4 M ammonium sulfate, 0.1 M sodium acetate, pH 5.5 |
