9HY9
Crystal structure of an allosteric inhibitor bound to human RIPK1 kinase domain
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999999701977 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.582, 98.129, 127.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.680 - 2.290 |
| R-factor | 0.21947 |
| Rwork | 0.217 |
| R-free | 0.27510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.694 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.680 | 2.540 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Number of reflections | 123845 | 7202 |
| <I/σ(I)> | 19.02 | |
| Completeness [%] | 96.9 | |
| Redundancy | 4.63 | |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 6 mM Gly3 29 %w/v PEG 3350 0,25 M NH4I |
