9Q31

RIP1 kinase domain in complex with GDC-8264

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	47.368, 96.318, 127.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.950 - 2.050
R-factor	0.1868
Rwork	0.184
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.550
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.950	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.092	0.891
Rmeas	0.096	0.926
Rpim	0.026	0.252
Total number of observations	497151	37680
Number of reflections	37401	2855
<I/σ(I)>	18.6	3.1
Completeness [%]	99.7
Redundancy	13.3	13.2
CC(1/2)	0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M Na Bromide; 0.1M Bis Tris Propane, pH 6.5; 20% PEG 3350