3SGG
Crystal structure of a putative hydrolase (BT_2193) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 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 | 2011-05-25 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97941,0.97904 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.915, 49.370, 71.359 |
Unit cell angles | 90.00, 114.45, 90.00 |
Refinement procedure
Resolution | 28.498 - 1.250 |
R-factor | 0.1521 |
Rwork | 0.151 |
R-free | 0.17640 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.466 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.498 | 28.498 | 1.290 |
High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
Rmerge | 0.041 | 0.020 | 0.501 |
Number of reflections | 140636 | 25941 | 24531 |
<I/σ(I)> | 10.5 | 32 | 1.6 |
Completeness [%] | 97.3 | 92.5 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 20.00% polyethylene glycol 6000, 0.1M sodium citrate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |