4RVO
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.41 A resolution
Replaces: 4R1WReplaces: 3S89Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97936,0.97925 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 127.237, 210.223, 71.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.574 - 2.410 |
R-factor | 0.1888 |
Rwork | 0.187 |
R-free | 0.21400 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.360 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.574 | 46.574 | 2.540 |
High resolution limit [Å] | 2.410 | 7.620 | 2.410 |
Rmerge | 0.017 | 0.430 | |
Total number of observations | 8788 | 33580 | |
Number of reflections | 74114 | ||
<I/σ(I)> | 12.6 | 35.5 | 1.5 |
Completeness [%] | 99.0 | 98.6 | 98.1 |
Redundancy | 3.5 | 3.4 | 3.2 |
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 D-fructose, 3mM CoA, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |