5H5S
Crystal structure of human GPX4 in complex with GXpep-3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.017, 39.077, 59.394 |
| Unit cell angles | 90.00, 97.84, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.850 |
| R-factor | 0.16816 |
| Rwork | 0.166 |
| R-free | 0.20383 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2obi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.418 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.098 | 0.386 |
| Number of reflections | 13498 | |
| <I/σ(I)> | 12.1 | 1.8 |
| Completeness [%] | 97.8 | 76.7 |
| Redundancy | 3.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M MES pH 5.5, 25% PEG 4000 |
