4O5M
X-ray Crystal Structure of Isovaleryl-CoA Dehydrogenase from Brucella suis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.210, 91.070, 102.140 |
Unit cell angles | 90.00, 99.25, 90.00 |
Refinement procedure
Resolution | 46.282 - 2.200 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.23370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.713 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 | |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.036 | 0.011 | 0.532 |
Number of reflections | 74678 | 861 | 5486 |
<I/σ(I)> | 26.87 | 96.57 | 2.7 |
Completeness [%] | 98.7 | 95.8 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.4 uL protein at 17.53 mg/ml + 0.4 uL JCSG+ D10 - 40% PEG 300, 0.2 M Calcium acetate, 0.1 sodium cacodylate, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K |