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 |