2WM5
X-ray structure of the substrate-free Mycobacterium tuberculosis cytochrome P450 CYP124
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-05-14 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.277, 74.006, 58.589 |
| Unit cell angles | 90.00, 103.13, 90.00 |
Refinement procedure
| Resolution | 69.340 - 1.500 |
| R-factor | 0.1533 |
| Rwork | 0.152 |
| R-free | 0.17834 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE STRUCTURE (SEE REMARK BELOW) |
| RMSD bond length | 0.029 |
| RMSD bond angle | 1.955 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.300 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.430 |
| Number of reflections | 92974 | |
| <I/σ(I)> | 10.4 | 1.7 |
| Completeness [%] | 100.0 | 89.7 |
| Redundancy | 3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 1% PEG MME, 0.1 M SODIUM CACODILATE, PH 6.8, 0.9 M SUCCINIC ACID |
