2XKR
Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.310, 65.460, 129.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.164 - 1.601 |
| R-factor | 0.1694 |
| Rwork | 0.168 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wm4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.032 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.200 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 62547 | |
| <I/σ(I)> | 22.7 | 4.1 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 6.9 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 10% PEG 550MME WITH 100 MM POTASSIUM THIOCYANATE AND 0.1 M SODIUM ACETATE AT A PH RANGE OF 5.0-6.0. |
