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 |