5J9C
Crystal structure of peroxiredoxin Asp f3 C31S/C61S variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-08 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.860, 68.100, 90.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.558 - 1.956 |
R-factor | 0.1545 |
Rwork | 0.153 |
R-free | 0.18950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j9b |
RMSD bond length | 0.008 |
RMSD bond angle | 1.082 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.560 | 2.010 |
High resolution limit [Å] | 1.956 | 1.960 |
Number of reflections | 23741 | |
<I/σ(I)> | 21.7 | 4.4 |
Completeness [%] | 99.2 | 90.8 |
Redundancy | 4.2 | 2.9 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris pH 7.2, 22% PEG 3350, 0.3 M MgCl2 |