3KZS
Crystal structure of glycosyl hydrolase family 5 (NP_809925.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 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 | CCD |
Collection date | 2008-11-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97870,0.97814 |
Spacegroup name | H 3 2 |
Unit cell lengths | 261.335, 261.335, 183.870 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 85.176 - 2.100 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22200 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 0.843 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.176 | 85.180 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.035 | 0.656 | |
Total number of observations | 28326 | 127684 | |
Number of reflections | 139171 | ||
<I/σ(I)> | 11.7 | 16.7 | 1.1 |
Completeness [%] | 100.0 | 99.9 | 99.9 |
Redundancy | 6.4 | 6.2 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.20M ammonium sulfate, 40.0% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |