5H5Q
Crystal structure of human GPX4 in complex with GXpep-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.746, 72.242, 39.616 |
| Unit cell angles | 90.00, 108.41, 90.00 |
Refinement procedure
| Resolution | 37.590 - 1.100 |
| R-factor | 0.1644 |
| Rwork | 0.163 |
| R-free | 0.18368 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2obi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.576 |
| 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 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.044 | 0.572 |
| Number of reflections | 65137 | |
| <I/σ(I)> | 13.3 | 2.2 |
| Completeness [%] | 99.8 | 81.4 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris pH 8.5, 0.1M potassium formate, 25% PEG 4000 |
