8XYR
De novo designed protein GPX4-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 61.795, 61.795, 113.525 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.040 - 1.870 |
| R-factor | 0.2158 |
| Rwork | 0.215 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.988 |
| Data reduction software | autoPROC (1.0.5) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.520 | 1.960 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 2.511 | |
| Rmeas | 3.153 | |
| Rpim | 1.841 | |
| Number of reflections | 19547 | 868 |
| <I/σ(I)> | 8 | 1.6 |
| Completeness [%] | 89.6 | 56.1 |
| Redundancy | 8.8 | 3.8 |
| CC(1/2) | 0.649 | 0.010 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 40 mM KH2PO4, 20% PEG4000, 20% glycerol |
