5EZ3
Crystal structure Acyl-CoA dehydrogenase from Brucella melitensis in complex with FAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.920, 141.250, 193.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.755 - 2.150 |
R-factor | 0.1457 |
Rwork | 0.145 |
R-free | 0.17850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3djl |
RMSD bond length | 0.007 |
RMSD bond angle | 0.891 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 | |
High resolution limit [Å] | 2.150 | 10.060 | 2.150 |
Rmerge | 0.088 | 0.027 | 0.511 |
Rmeas | 0.093 | 0.030 | 0.462 |
Total number of observations | 566602 | ||
Number of reflections | 143067 | 1333 | 9127 |
<I/σ(I)> | 11.23 | 32.46 | 2.11 |
Completeness [%] | 99.1 | 84.7 | 97.2 |
Redundancy | 4.34 | 2.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | JCSG+ B5: 40% MPD, 5% PEG 8000, 100mM Na-cacodylate/HCl pH 6.5, BrmeA.01048.a.A1.PS01389 at 22.4 mg/ml; cryo: 20% EG; tray 231351b5; puck lwt7-15 |