2Q0K
Oxidized thioredoxin reductase from Helicobacter pylori in complex with NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.128, 99.195, 64.436 |
| Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
| Resolution | 63.500 - 1.700 |
| R-factor | 0.19024 |
| Rwork | 0.188 |
| R-free | 0.22605 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tde |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.604 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.500 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.429 |
| Number of reflections | 66999 | |
| <I/σ(I)> | 5.4 | 1.7 |
| Completeness [%] | 98.4 | 90.2 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 22% PEG 3350, 0.1M MIB pH 6.0, 8mM pentaethylene glycol monooctyl ether, EVAPORATION, temperature 293K, VAPOR DIFFUSION, HANGING DROP |
