9IX0

Crystal structure of the mouse RIP3 kinase domain in complexed with GW'39B

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-13
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	C 1 2 1
Unit cell lengths	155.555, 51.348, 106.748
Unit cell angles	90.00, 132.67, 90.00

Refinement procedure

Resolution	38.800 - 2.100
R-factor	0.2047
Rwork	0.203
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m66
RMSD bond length	0.010
RMSD bond angle	1.218
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.590	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.760
Rmeas	0.077	0.917
Rpim	0.042	0.507
Total number of observations	117853	16748
Number of reflections	35934	5292
<I/σ(I)>	11.3	2.5
Completeness [%]	98.5
Redundancy	3.3	3.2
CC(1/2)	0.998	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10-20% PEG3350, 50 mM magnesium formate, pH 5.0-7.5