7U4L
Crystal structure of human GPX4-U46C in complex with MAC-5576
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 | 2020-10-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.889, 91.506, 72.189 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.190 - 2.250 |
| R-factor | 0.17 |
| Rwork | 0.163 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7l8k |
| 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] | 91.510 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.197 | 2.083 |
| Number of reflections | 67235 | 4076 |
| <I/σ(I)> | 2.4 | 0.5 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.989 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 291 | 2 M sodium chloride and 0.1 M sodium acetate trihydrate |
