7E4U
Crystal structure of Peroxiredoxin-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-09 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 217.452, 60.606, 205.142 |
Unit cell angles | 90.00, 94.23, 90.00 |
Refinement procedure
Resolution | 49.490 - 2.600 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xcs |
RMSD bond length | 0.011 |
RMSD bond angle | 1.684 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.490 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.250 | |
Number of reflections | 79576 | 5176 |
<I/σ(I)> | 3.4 | |
Completeness [%] | 97.6 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 14.4% W/V PEG 8000, 0.08 M Sodium cacodylate, 0.16 M Calcium acetate hydrate |