6XDF
Crystal structure of IRE1a in complex with G-4100
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2015-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.919, 72.767, 120.054 |
| Unit cell angles | 90.00, 129.73, 90.00 |
Refinement procedure
| Resolution | 92.330 - 2.540 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.26270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.330 | 92.330 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 5.200 | 0.425 |
| Rmeas | 0.060 | 0.029 |
| Total number of observations | 137624 | |
| Number of reflections | 36523 | 154 |
| <I/σ(I)> | 17.69 | 53.08 |
| Completeness [%] | 98.8 | 98.5 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.998 | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10% (v/v) isopropanol, 11% (w/v) PEG4000, 0.1 M Na-citrate, pH 5.6 |
