8I2N

The RIPK1 kinase domain in complex with QY7-2B compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	46.510, 98.742, 128.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.300 - 2.290
R-factor	0.2166
Rwork	0.215
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4itj
RMSD bond length	0.012
RMSD bond angle	1.719
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.210	2.410
High resolution limit [Å]	2.290	2.290
Rmerge	0.120	1.216
Number of reflections	27550	3919
<I/σ(I)>	14.9
Completeness [%]	100.0
Redundancy	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	289	0.2 M Sodium chloride, 0.1 M Tris pH 7.9, 23% w/v Polyethylene glycol 3350