4RVN
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
Replaces: 4R1XReplaces: 3QOVExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-22 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 127.780, 211.300, 71.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.782 - 2.200 |
R-factor | 0.1929 |
Rwork | 0.192 |
R-free | 0.21860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rvo |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | XSCALE (January 30) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.782 | 47.782 | 2.280 |
High resolution limit [Å] | 2.200 | 4.720 | 2.200 |
Rmerge | 0.109 | 0.011 | 0.011 |
Number of reflections | 99670 | 10584 | 9939 |
<I/σ(I)> | 12.85 | 38 | 1.7 |
Completeness [%] | 99.9 | 99.8 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 0.200M potassium sulfate, 20.00% polyethylene glycol 3350, No Buffer pH 6.7, 3mM AMP, 3mM CoA, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |