7KJ0
hyperoxidized human peroxiredoxin 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 231.000, 88.000, 125.600 |
Unit cell angles | 90.00, 100.20, 90.00 |
Refinement procedure
Resolution | 49.600 - 2.290 |
R-factor | 0.1849 |
Rwork | 0.182 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kiz |
RMSD bond length | 0.002 |
RMSD bond angle | 0.571 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.600 | 2.350 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmeas | 0.461 | 5.327 |
Number of reflections | 109799 | 8119 |
<I/σ(I)> | 10.6 | 0.9 |
Completeness [%] | 97.9 | 98.8 |
Redundancy | 22.5 | |
CC(1/2) | 0.995 | 0.318 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.1 M Tris pH 8.5, 25% PEG 3350, 0.2 M magnesium chloride |