7U4I
Crystal structure of human GPX4-U46C-R152H in complex with CDS9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-22 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.108, 36.585, 84.050 |
| Unit cell angles | 90.00, 115.45, 90.00 |
Refinement procedure
| Resolution | 75.900 - 1.970 |
| R-factor | 0.2054 |
| Rwork | 0.201 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7l8l |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.900 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.199 | 1.918 |
| Number of reflections | 35852 | 2155 |
| <I/σ(I)> | 7.1 | 1.1 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 6.8 | 6.7 |
| CC(1/2) | 0.994 | 0.361 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 291 | 0.2 M potassium thiocyanate and 20% (w/v) PEG 3350 |
