6ITZ
Peroxiredoxin from Thermococcus kodakaraensis
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 | 2016-09-27 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 6 |
| Unit cell lengths | 142.183, 142.183, 49.146 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.550 - 2.960 |
| R-factor | 0.22088 |
| Rwork | 0.218 |
| R-free | 0.27359 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.569 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.000 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Number of reflections | 12022 | |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M imidazole-HCl (pH 7.2), 0.2M MgCl2, and 16% PEG400 |
