5KJP
Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis H37Rv
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | I 2 3 |
Unit cell lengths | 121.476, 121.476, 121.476 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.632 - 1.800 |
R-factor | 0.1549 |
Rwork | 0.153 |
R-free | 0.18380 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.899 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXDE |
Refinement software | PHENIX (dev_1888) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.632 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.053 |
Number of reflections | 40251 |
<I/σ(I)> | 9 |
Completeness [%] | 97.9 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2 M Ammonium Sulfate 0.1 M Bis-Tris:HCl pH 6.5 25% (w/v) PEG 3350 |