6R5F
Crystal structure of RIP1 kinase in complex with DHP77
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.858, 138.919, 96.534 |
| Unit cell angles | 90.00, 96.50, 90.00 |
Refinement procedure
| Resolution | 69.460 - 3.250 |
| R-factor | 0.245 |
| Rwork | 0.243 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4itj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.460 | 3.980 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.137 | 0.453 |
| Rmeas | 0.164 | 0.543 |
| Rpim | 0.089 | 0.297 |
| Number of reflections | 18831 | 8493 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 99.1 | 98.9 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.990 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M Ammonium Fluoride, 20% PEG3350 and 4mM DHP77 |
