8DWR
Crystal structure of the L333V variant of catalase-peroxidase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.671, 150.817, 127.037 |
| Unit cell angles | 90.00, 90.45, 90.00 |
Refinement procedure
| Resolution | 19.992 - 2.100 |
| R-factor | 0.1813 |
| Rwork | 0.181 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cca |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.594 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.094 | 0.546 |
| Number of reflections | 178934 | 8861 |
| <I/σ(I)> | 9.6 | 3.3 |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 7 | 7.4 |
| CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 10 % w/v PEG 6000 100 mM HEPES / Sodium Hydroxide; pH 7.0 |
