8OQP
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-12 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976254 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 250.935, 132.803, 119.290 |
Unit cell angles | 90.00, 110.46, 90.00 |
Refinement procedure
Resolution | 69.730 - 2.180 |
R-factor | 0.1974 |
Rwork | 0.196 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.534 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 117.550 | 2.350 |
High resolution limit [Å] | 2.180 | 2.180 |
Number of reflections | 145082 | 7255 |
<I/σ(I)> | 13.3 | |
Completeness [%] | 95.3 | |
Redundancy | 7 | |
CC(1/2) | 0.990 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 2 M Ammonium Sulfate, 0.1M Tris pH 8.5 |