8Q8N
Crystal structure of human GPX4-U46C-I129S-L130S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-30 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.235, 45.642, 84.514 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.290 - 1.900 |
R-factor | 0.20697 |
Rwork | 0.202 |
R-free | 0.29209 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.571 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.640 | 1.920 |
High resolution limit [Å] | 1.880 | 1.880 |
Number of reflections | 12301 | 766 |
<I/σ(I)> | 9.5 | 1.4 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 12.1 | |
CC(1/2) | 0.832 | 0.598 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1 M MES monohydrate pH 6.0, 6% v/v Tacsimate pH 6.0, 25% w/v Polyethylene glycol 4,000 |