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 |