4Z7G
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.401, 78.971, 86.045 |
| Unit cell angles | 90.00, 97.41, 90.00 |
Refinement procedure
| Resolution | 85.330 - 2.600 |
| R-factor | 0.2041 |
| Rwork | 0.203 |
| R-free | 0.22590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p23 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.330 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.083 | 1.475 |
| Number of reflections | 32479 | |
| <I/σ(I)> | 7.8 | 0.8 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Apo-hIRE1 was crystallized by hanging-drop vapor diffusion by mixing IRE1 (at 2 mg/mL) with reservoir solution containing 18-20% PEG3350, 0.2 M sodium malonate and 0.1 Bis-Trispropane (pH 6.5) in a 1:1 ratio |
