4ITJ

Crystal structure of RIP1 kinase in complex with necrostatin-4

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	2012-02-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	46.841, 97.136, 128.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.236 - 1.800
R-factor	0.1885
Rwork	0.187
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ith
RMSD bond length	0.009
RMSD bond angle	1.302
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	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	54270
Completeness [%]	98.8	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	0.15 M NH4I, 17% PEG 3,350, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K