4C50
Crystal Structure of the Catalase-Peroxidase (KatG) D137S mutant from Mycobacterium Tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-11-30 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 150.590, 150.590, 157.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.410 - 2.500 |
| R-factor | 0.26605 |
| Rwork | 0.264 |
| R-free | 0.31113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cca |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.426 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.300 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.390 |
| Number of reflections | 62942 | |
| <I/σ(I)> | 8.7 | 3.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 100 MM SODIUM ACETATE, PH 4.6, 6% PEG 4000, AND 0.17 MM N-DODECYL-BETA-D-MALTOSIDE |
