3ISH
Crystal structure of Helicobacter pylori thioredoxin reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-31 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 89.400, 89.400, 279.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.980 - 2.430 |
R-factor | 0.181 |
Rwork | 0.178 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a87 |
RMSD bond length | 0.026 |
RMSD bond angle | 2.402 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MrBUMP (& molrep) |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.980 |
High resolution limit [Å] | 2.430 |
Rmerge | 0.068 |
Number of reflections | 49803 |
<I/σ(I)> | 24.31 |
Redundancy | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 277 | 2.0 M Ammonium sulfate,0.2M Ammonium Nitrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |