7U4K
Crystal structure of human GPX4-U46C-R152H in complex with ML162
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 | 2020-06-28 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.565, 69.304, 32.983 |
| Unit cell angles | 90.00, 102.50, 90.00 |
Refinement procedure
| Resolution | 52.550 - 1.690 |
| R-factor | 0.1556 |
| Rwork | 0.153 |
| R-free | 0.18110 |
| 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] | 52.550 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.094 | 1.110 |
| Number of reflections | 23878 | 1007 |
| <I/σ(I)> | 11.6 | 1 |
| Completeness [%] | 98.6 | 84.1 |
| Redundancy | 6.7 | 4.4 |
| CC(1/2) | 0.997 | 0.635 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 291 | 8% Tacsimate and 20% (w/v) PEG 3350 |
