4JQT
Crystal structure of a putative glycosyl hydrolase (BT3469) from Bacteroides thetaiotaomicron VPI-5482 at 2.49 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401,0.979485,0.979268 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.554, 87.648, 141.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.216 - 2.490 |
R-factor | 0.1695 |
Rwork | 0.167 |
R-free | 0.21390 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.216 | 2.580 | |
High resolution limit [Å] | 2.490 | 5.330 | 2.490 |
Rmerge | 0.113 | 0.037 | 0.567 |
Number of reflections | 37924 | 7135 | 7022 |
<I/σ(I)> | 9.7 | 21.9 | 1.9 |
Completeness [%] | 97.5 | 96.7 | 96.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 35.0% 2-ethoxyethanol, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |