1X0R
Thioredoxin Peroxidase from Aeropyrum pernix K1
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-28 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.633, 101.792, 102.886 |
| Unit cell angles | 105.37, 105.28, 93.32 |
Refinement procedure
| Resolution | 29.890 - 2.000 |
| R-factor | 0.164 |
| Rwork | 0.164 |
| R-free | 0.17100 |
| Structure solution method | MAD |
| RMSD bond length | 0.046 |
| RMSD bond angle | 3.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | 0.188 |
| Number of reflections | 191063 | |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 95.7 | 86.1 |
| Redundancy | 2.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | imidazole-HCl, sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
