5HGI
Crystal structure of apo human IRE1 alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.039, 169.196, 104.138 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.343 - 2.584 |
R-factor | 0.2145 |
Rwork | 0.213 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p23 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.641 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.600 | 2.676 |
High resolution limit [Å] | 2.580 | 2.584 |
Rmerge | 0.054 | 0.854 |
Number of reflections | 19194 | |
<I/σ(I)> | 20.47 | 2.37 |
Completeness [%] | 99.7 | 99.68 |
Redundancy | 6.4 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | Crystallization buffer: 25 mM Bis-Tris Propane pH 9, 39% PEG 200, 250 mM CsCl, 10% glycerol. After setting up the crystallization drop with the mother liquor in a 1:1 uL ratio using the liquid bridge method, 2-mercaptoethanol was added to the reservoir at a final concentration of 143 mM. Crystals were cryoprotected in the same reservoir crystallization buffer. |