7O1J
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme beta-C92A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.329, 209.277, 133.454 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.730 - 2.360 |
| R-factor | 0.2129 |
| Rwork | 0.211 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b3h |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.490 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.730 | 2.420 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Number of reflections | 58404 | 4525 |
| <I/σ(I)> | 8 | |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 4.3 | |
| CC(1/2) | 0.996 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 295 | 2 M Ammonium Sulfate, 0.1M Tea pH 7.5 |
