6ELW
High resolution structure of selenocysteine containing human GPX4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-06 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.963, 69.000, 35.666 |
| Unit cell angles | 90.00, 115.12, 90.00 |
Refinement procedure
| Resolution | 34.520 - 1.300 |
| R-factor | 0.12526 |
| Rwork | 0.124 |
| R-free | 0.15541 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2obi |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.573 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.520 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.098 | 0.569 |
| Number of reflections | 35608 | |
| <I/σ(I)> | 8.5 | 2 |
| Completeness [%] | 99.6 | 91.9 |
| Redundancy | 4.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30 % (w/v) PEG 1500, 10 % (v/v) isopropanol, 0.1 M calcium chloride and 0.1 M imidazole/ hydrochloric acid pH 6.5 |
