6S1F
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 124.343, 124.343, 228.676 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.699 - 3.110 |
| R-factor | 0.2559 |
| Rwork | 0.254 |
| R-free | 0.29960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fu5 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.687 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.700 | 3.220 |
| High resolution limit [Å] | 3.110 | 3.110 |
| Number of reflections | 32991 | 3199 |
| <I/σ(I)> | 4.82 | |
| Completeness [%] | 99.5 | |
| Redundancy | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 150 nL sitting drops containing 100 nL protein and 50 nL of a reservoir solution containing the BCS5 condition 20% PEG Smear High, 0.1M citrate pH 5.5 |
