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 |