6WYI
Crystal structure of EchA19, enoyl-CoA hydratase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 75.413, 75.413, 68.890 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.710 - 1.915 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f47 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.035 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.710 | 1.983 |
High resolution limit [Å] | 1.915 | 1.915 |
Rmerge | 0.078 | 0.867 |
Rmeas | 0.080 | 0.898 |
Rpim | 0.231 | |
Number of reflections | 17862 | 1755 |
<I/σ(I)> | 19.4 | |
Completeness [%] | 99.9 | |
Redundancy | 19.3 | |
CC(1/2) | 0.999 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 0.2 M MgCl2 and 0.1 M Tris (pH 8.5) supplemented with 25% PEG3350 |