3S30
Crystal structure of a putative glycoside hydrolase (BVU_0247) from Bacteroides vulgatus ATCC 8482 at 2.46 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-07 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 65 |
Unit cell lengths | 146.745, 146.745, 91.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.656 - 2.460 |
R-factor | 0.2334 |
Rwork | 0.233 |
R-free | 0.25060 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.134 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.656 | 29.661 | 2.520 |
High resolution limit [Å] | 2.460 | 11.000 | 2.460 |
Rmerge | 0.094 | 0.043 | 0.811 |
Total number of observations | 1748 | 12540 | |
Number of reflections | 40478 | ||
<I/σ(I)> | 12.1 | 14 | 0.9 |
Completeness [%] | 99.1 | 94.7 | 98.7 |
Redundancy | 4.2 | 3.8 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | 20.0% polyethylene glycol 3350, 0.2M ammonium nitrate, No Buffer pH 6.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |