4U83
Structure of Brucella Abortus Butyryl-CoA dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-11 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.970, 101.920, 95.910 |
Unit cell angles | 90.00, 98.37, 90.00 |
Refinement procedure
Resolution | 48.199 - 1.800 |
R-factor | 0.1615 |
Rwork | 0.160 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n5f |
RMSD bond length | 0.008 |
RMSD bond angle | 1.052 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1760)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 | |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.087 | 0.032 | 0.509 |
Rmeas | 0.102 | 0.038 | 0.594 |
Total number of observations | 495552 | ||
Number of reflections | 131545 | 1516 | 9709 |
<I/σ(I)> | 11.38 | 27.85 | 2.74 |
Completeness [%] | 99.7 | 98.1 | 99.7 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | RigakuReagents MCSG-1 screen, G4: 0.1M Potassium Sodium Tartrate and 20% w/v PEG 3,350, cryo 20% EG; BrabA.00027.f.B1.PW37493 at 27.5mg/ml, tray 255764g4, puck uwi5-2 |