4QHB
Crystal structure of a putative hydrolase (BVU_2763) from Bacteroides vulgatus ATCC 8482 at 2.44 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-26 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.96109,0.97934,0.97911 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.102, 107.296, 108.137 |
Unit cell angles | 90.00, 101.82, 90.00 |
Refinement procedure
Resolution | 47.852 - 2.440 |
R-factor | 0.1723 |
Rwork | 0.170 |
R-free | 0.21500 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.625 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.852 | 47.852 | 2.530 |
High resolution limit [Å] | 2.440 | 5.230 | 2.440 |
Rmerge | 0.118 | 0.058 | 0.605 |
Number of reflections | 69089 | 7092 | 7091 |
<I/σ(I)> | 8.79 | 18.5 | 2.1 |
Completeness [%] | 99.8 | 99.1 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.050M lithium sulfate, 10.00% Glycerol, 30.00% polyethylene glycol 600, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |