4QFU
Crystal structure of a glycoside hydrolase family 5 (BVU_2644) from Bacteroides vulgatus ATCC 8482 at 1.90 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97932,0.97885 |
Spacegroup name | P 1 |
Unit cell lengths | 115.950, 117.589, 125.249 |
Unit cell angles | 91.60, 92.82, 98.92 |
Refinement procedure
Resolution | 46.868 - 1.900 |
R-factor | 0.1437 |
Rwork | 0.142 |
R-free | 0.17160 |
Structure solution method | MR+MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.868 | 46.868 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.073 | 0.041 | 0.415 |
Number of reflections | 459821 | 46400 | 42659 |
<I/σ(I)> | 8.38 | 19.1 | 2.1 |
Completeness [%] | 89.4 | 89.4 | 80.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.17M magnesium nitrate, 18.0% polyethylene glycol 3350, 0.01M Sarcosine, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |