7BMK
ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999999701977 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.903, 72.813, 119.239 |
| Unit cell angles | 90.00, 129.82, 90.00 |
Refinement procedure
| Resolution | 91.590 - 1.850 |
| R-factor | 0.1922 |
| Rwork | 0.191 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.623 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.590 | 2.100 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.037 | 0.430 |
| Number of reflections | 91213 | 28858 |
| <I/σ(I)> | 17.89 | |
| Completeness [%] | 98.1 | 98.6 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 279 | 10.00 %v/v 2-PropOH 13.00 %w/v PEG 4K 0.10 M Na3 Cit |
