3GYK
The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-25 |
Detector | SBC-3 |
Wavelength(s) | 0.97953 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.836, 91.700, 67.911 |
Unit cell angles | 90.00, 120.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.760 |
R-factor | 0.16194 |
Rwork | 0.160 |
R-free | 0.19753 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.344 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.075 | 0.345 |
Number of reflections | 71433 | |
<I/σ(I)> | 35 | 4.3 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.2M Lithium sulfate, 0.1M Tris-HCl, 2.0M Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |