7FCZ

Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	42.674, 101.705, 129.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.050 - 2.210
R-factor	0.2356
Rwork	0.234
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ith
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.234	0.048	1.220
Rmeas	0.244	0.050	1.289
Rpim	0.069	0.015	0.405
Total number of observations	357851
Number of reflections	29171	1605	1441
<I/σ(I)>	4.1
Completeness [%]	99.9	99	99.9
Redundancy	12.3	11.3	10.3
CC(1/2)		0.999	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.25 M ammonium iodide, 0.03 M glycyl-glycyl-glycine and 15-25% PEG3350.