3LJ2
IRE1 complexed with JAK Inhibitor I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 126.180, 126.180, 175.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.500 - 3.330 |
R-factor | 0.256 |
Rwork | 0.254 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rio |
RMSD bond length | 0.016 |
RMSD bond angle | 1.749 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 51.500 |
High resolution limit [Å] | 3.330 |
Number of reflections | 22369 |
Completeness [%] | 94.9 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 298 | hanging drop, temperature 298K |