6ES0
Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.980, 83.740, 139.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.740 - 2.380 |
| R-factor | 0.2157 |
| Rwork | 0.213 |
| R-free | 0.25760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c8b |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.581 |
| Data reduction software | XDS |
| Data scaling software | X-Area |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 71.740 |
| High resolution limit [Å] | 2.380 |
| Number of reflections | 29591 |
| <I/σ(I)> | 16.05 |
| Completeness [%] | 99.4 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG Smear Low -- 0.1M MES pH 6.5 -- 0.05M magnesium acetate -- 0.05M magnesium chloride |
