3OC7
Crystal structure of an enoyl-CoA hydratase from Mycobacterium avium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | H 3 |
Unit cell lengths | 83.230, 83.230, 93.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.620 - 1.500 |
R-factor | 0.1722 |
Rwork | 0.172 |
R-free | 0.18080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3myb |
RMSD bond length | 0.016 |
RMSD bond angle | 1.317 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.540 | |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.066 | 0.033 | 0.498 |
Number of reflections | 38836 | 439 | 2896 |
<I/σ(I)> | 15.9 | 38 | 2.7 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 25.9 mg/mL MyavA.01530.a.A1 PW29874 3C cleaved against JCSG+ condition E11, 0.16 M calcium acetate, 80 mM sodium cacodylate pH 6.5, 14.4% PEG 8000, 20% glycerol, crystal tracking ID 216676e11, VAPOR DIFFUSION, SITTING DROP, temperature 289K |