2Q0L
Helicobacter pylori thioredoxin reductase reduced by sodium dithionite 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 | 50.451, 99.455, 64.765 |
| Unit cell angles | 90.00, 97.94, 90.00 |
Refinement procedure
| Resolution | 64.150 - 1.450 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.19300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.495 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.150 | 64.150 | 1.530 |
| High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
| Rmerge | 0.057 | 0.065 | 0.190 |
| Total number of observations | 11509 | 31734 | |
| Number of reflections | 105645 | ||
| <I/σ(I)> | 5.2 | 6.2 | 3.6 |
| Completeness [%] | 94.5 | 98.2 | 69.7 |
| Redundancy | 3.5 | 3.2 | 2.8 |
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 |
