9JLA
De novo designed GPX4 2OBI-10
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 | 2024-06-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.489, 70.578, 33.650 |
| Unit cell angles | 90.00, 111.13, 90.00 |
Refinement procedure
| Resolution | 23.450 - 1.530 |
| R-factor | 0.1802 |
| Rwork | 0.178 |
| R-free | 0.21580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.551 |
| 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] | 70.580 | 1.570 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.037 | 0.191 |
| Rmeas | 0.040 | 0.217 |
| Rpim | 0.016 | 0.100 |
| Number of reflections | 20864 | 1500 |
| <I/σ(I)> | 19.5 | 7.9 |
| Completeness [%] | 97.7 | 96.6 |
| Redundancy | 6.3 | 4.8 |
| CC(1/2) | 0.999 | 0.961 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M NaCl, 0.1M Sodium HEPES 7.5, 25% PEG4000 |
