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 |
