6HN3
wildtype form (apo) of human GPX4 with Se-Cys46
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 32.760, 35.190, 37.820 |
| Unit cell angles | 103.18, 112.33, 91.76 |
Refinement procedure
| Resolution | 33.970 - 1.010 |
| R-factor | 0.115 |
| Rwork | 0.114 |
| R-free | 0.13700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2obi |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.877 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.970 | 1.030 |
| High resolution limit [Å] | 1.010 | 1.010 |
| Number of reflections | 79169 | 4823 |
| <I/σ(I)> | 14.6 | 1.8 |
| Completeness [%] | 94.7 | 85.6 |
| Redundancy | 2.8 | 1.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Protein 17.6 mg/ml in 0.050 M TRIS-HCL PH 8.0, 0.15 M NACL, 0.005 M TCEP. Reservoir solution 0.1 M MES PH 6.0, 18% (w/v) PEG 3350, 5% (v/v) ethanol. Cryo buffer was reservoir buffer supplemented with 15% glycerol |
