7O4Q
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in space group C2221 (unliganded)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.087, 204.685, 132.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.450 - 2.100 |
| R-factor | 0.1953 |
| Rwork | 0.195 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b3h |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.491 |
| 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] | 48.450 | 2.220 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 160514 | 4363 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.997 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 295 | 2M (NH4)2SO4, 100mM MOPS pH 6.5, 10% Ethanol |
