6W3B
Structure of apo unphosphorylated IRE1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2018-06-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.039, 167.588, 103.494 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.028 - 2.570 |
R-factor | 0.2057 |
Rwork | 0.203 |
R-free | 0.24590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hgi |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829_final) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.028 | 44.028 | 2.579 |
High resolution limit [Å] | 2.570 | 11.853 | 2.570 |
Rmerge | 0.064 | 0.027 | 1.155 |
Rmeas | 0.067 | 0.029 | 1.217 |
Rpim | 0.021 | 0.010 | 0.376 |
Total number of observations | 1878 | 2011 | |
Number of reflections | 36280 | 234 | 201 |
<I/σ(I)> | 23.2 | 60.9 | 2 |
Completeness [%] | 99.8 | 100 | 98 |
Redundancy | 9.8 | 8 | 10 |
CC(1/2) | 0.999 | 0.999 | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M Hepes pH 7.5, 42% PEG200, 1 M lithium chloride, 3% w/v 6-aminohexanoic acid |