3R9U
Thioredoxin-disulfide reductase from Campylobacter jejuni.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 154.006, 163.571, 66.876 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.100 - 2.360 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.24720 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.806 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.100 | 50.000 | 2.400 |
| High resolution limit [Å] | 2.360 | 6.400 | 2.360 |
| Rmerge | 0.105 | 0.061 | 0.841 |
| Number of reflections | 35153 | ||
| <I/σ(I)> | 8.4 | 2.09 | |
| Completeness [%] | 99.8 | 97.7 | 99.7 |
| Redundancy | 6.9 | 5.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M MES buffer, 30% PEG-4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
