7XMK
Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL18U |
Synchrotron site | NFPSS |
Beamline | BL18U |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-05 |
Detector | DECTRIS PILATUS3 X CdTe 1M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.885, 100.904, 127.594 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.415 - 2.376 |
R-factor | 0.226 |
Rwork | 0.224 |
R-free | 0.25850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4itj |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.410 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.100 | |
Number of reflections | 26140 | 1259 |
<I/σ(I)> | 25.727 | |
Completeness [%] | 100.0 | |
Redundancy | 10 | |
CC(1/2) | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.25M ammonium iodide, 0.03M glycyl-glycyl-glycine, 23% polyethylene glycol (PEG) 3350 |