8OPV
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11)
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 | 2017-04-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8950 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 249.689, 134.680, 119.480 |
Unit cell angles | 90.00, 110.56, 90.00 |
Refinement procedure
Resolution | 48.380 - 2.800 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.441 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.380 | 2.970 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 90705 | 14436 |
<I/σ(I)> | 6.88 | |
Completeness [%] | 99.1 | |
Redundancy | 4.8 | |
CC(1/2) | 0.988 | 0.504 |
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 |