9I3F
Crystal structure of the AGR2 and IRE1beta_loop complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-16 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.199, 81.820, 120.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.760 - 1.900 |
| R-factor | 0.20116 |
| Rwork | 0.199 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.246 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.760 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.198 | 1.234 |
| Number of reflections | 57731 | 17355 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.992 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2M Magnesium chloride, 0.1M TRIS PH8.5 and 24% PEG8000 |
