3W6G
Structure of peroxiredoxin from anaerobic hyperthermophilic archaeon Pyrococcus horikoshii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-09 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 125.354, 94.733, 228.204 |
| Unit cell angles | 90.00, 103.31, 90.00 |
Refinement procedure
| Resolution | 43.570 - 2.250 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.103 | 0.356 |
| Number of reflections | 233950 | |
| <I/σ(I)> | 11.1 | 4.7 |
| Completeness [%] | 95.2 | 89.5 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 0.1 M Na-citrate, 20% PEG 3350, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
