3TJG
Crystal Structure of human peroxiredoxin IV C51A mutant in oxidized form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.160, 139.070, 95.140 |
Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
Resolution | 28.960 - 2.240 |
R-factor | 0.15997 |
Rwork | 0.158 |
R-free | 0.20111 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pn8 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.618 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.960 | 2.300 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.049 | 0.584 |
Number of reflections | 64808 | |
<I/σ(I)> | 16.5 | 2.6 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 48% PEG200, 0.1 M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |