4ITH
Crystal structure of RIP1 kinase in complex with necrostatin-1 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 | 2012-01-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.128, 93.605, 129.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.888 - 2.250 |
R-factor | 0.2222 |
Rwork | 0.221 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c4c |
RMSD bond length | 0.011 |
RMSD bond angle | 1.337 |
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 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 27706 | |
Completeness [%] | 99.3 | 98.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.25 M NH4I, 20% polyethylene glycol (PEG) 3350, 0.03 M glycyl-glycyl-glycine, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |