2WM4
X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid
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 | 2009-01-24 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.596, 73.400, 109.696 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.940 - 2.110 |
| R-factor | 0.169 |
| Rwork | 0.166 |
| R-free | 0.23189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wm5 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.907 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.530 |
| Number of reflections | 24784 | |
| <I/σ(I)> | 30.8 | 3.6 |
| Completeness [%] | 97.0 | 76.6 |
| Redundancy | 6.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 21% PEG4000, 0.1 M BIS-TRIS, PH 5.5, 0.2 M CALCIUM ACETATE |
