4K6C
X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 84.480, 84.480, 143.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.280 - 1.850 |
R-factor | 0.1615 |
Rwork | 0.160 |
R-free | 0.19590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gk3 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.835 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 | |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.027 | 0.011 | 0.550 |
Number of reflections | 50126 | 619 | 3498 |
<I/σ(I)> | 42.02 | 132.08 | 3.87 |
Completeness [%] | 97.9 | 93.6 | 93.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | Morpheus A3: 0.06M magnesium chloride, 0.06M calcium chloride, 0.1M imidazole/MES pH 6.50, 30% glycerol/PEG-4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |