3TJK
Crystal Structure of human peroxiredoxin IV C245A mutant in reduced form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97950 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.240, 138.400, 96.000 |
Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
Resolution | 83.710 - 2.090 |
R-factor | 0.16247 |
Rwork | 0.160 |
R-free | 0.20125 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pn8 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.598 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.710 | 2.150 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.053 | 0.683 |
Number of reflections | 80529 | |
<I/σ(I)> | 14.3 | 2.4 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 4.7 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1.0 M succinic acid, 1% w/v PEG2000 MME, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |