4ITI
Crystal structure of RIP1 kinase in complex with necrostatin-3 analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.630, 91.407, 103.325 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.266 - 2.860 |
R-factor | 0.2291 |
Rwork | 0.227 |
R-free | 0.26650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ith |
RMSD bond length | 0.009 |
RMSD bond angle | 1.324 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.000 |
High resolution limit [Å] | 2.860 | 2.860 |
Number of reflections | 18400 | |
Completeness [%] | 99.7 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1 M HEPES, 15% PEG 20,000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |