5H5R
Crystal structure of human GPX4 in complex with GXpep-2
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 | 2016-11-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 |
| Unit cell lengths | 41.247, 41.247, 92.902 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.720 - 1.200 |
| R-factor | 0.15087 |
| Rwork | 0.150 |
| R-free | 0.16249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2obi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.639 |
| 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 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.066 | 0.135 |
| Number of reflections | 51699 | |
| <I/σ(I)> | 25.8 | 5.7 |
| Completeness [%] | 93.4 | 55.6 |
| Redundancy | 4.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris pH 8.5, 0.2M sodium acetate, 25% PEG6000 |
