4C51
Crystal Structure of the Catalase-Peroxidase (KatG) R418L mutant from Mycobacterium Tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-20 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 150.690, 150.690, 157.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.130 - 3.100 |
| R-factor | 0.16303 |
| Rwork | 0.160 |
| R-free | 0.21418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cca |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.529 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.100 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.160 | 0.470 |
| Number of reflections | 33364 | |
| <I/σ(I)> | 11.4 | 4.5 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 7.7 | 7.3 |
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 |
