7O1G
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A-H462A, beta-C92A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.610, 207.800, 132.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.950 - 3.030 |
| R-factor | 0.2282 |
| Rwork | 0.226 |
| R-free | 0.27520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b3h |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.414 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.950 | 3.080 |
| High resolution limit [Å] | 3.030 | 3.030 |
| Number of reflections | 27721 | 4415 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.987 | 0.520 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 295 | 2 M Ammonium Sulfate, 0.1M MES pH 5.5 |
