3RH7
Crystal structure of a putative oxidoreductase (SMa0793) from Sinorhizobium meliloti 1021 at 3.00 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9796,0.9611,0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.920, 99.735, 234.302 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.759 - 3.000 |
R-factor | 0.1887 |
Rwork | 0.187 |
R-free | 0.22650 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.759 | 3.110 | |
High resolution limit [Å] | 3.000 | 6.400 | 3.000 |
Rmerge | 0.069 | 0.018 | 0.515 |
Number of reflections | 42960 | 7885 | 7995 |
<I/σ(I)> | 10.57 | 32.3 | 1.5 |
Completeness [%] | 94.3 | 91.4 | 93.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 0.2M LiAcetate, 20.0% PEG-3350, No Buffer pH 7.8, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |