8X71
Crystal structure of Peroxiredoxin I in complex with compound 19-064
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.011, 77.652, 80.595 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.770 - 1.580 |
R-factor | 0.1605 |
Rwork | 0.159 |
R-free | 0.18160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.121 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.770 | 1.631 |
High resolution limit [Å] | 1.575 | 1.575 |
Number of reflections | 54935 | 5310 |
<I/σ(I)> | 30.86 | |
Completeness [%] | 99.1 | |
Redundancy | 13.3 | |
CC(1/2) | 0.999 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 8% Tacsimate pH 8.0 (v/v), 20% PEG3350 (v/v), 22% glycerol |