9CKP

Human G protein-coupled receptor kinase 5-D311N in complex with sangivamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	277
Detector technology	PIXEL
Collection date	2022-09-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 41 21 2
Unit cell lengths	140.206, 140.206, 77.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.250 - 2.600
R-factor	0.2363
Rwork	0.234
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.578
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.700	2.440
High resolution limit [Å]	2.330	2.380
Rmerge	0.148
Number of reflections	33722	3262
<I/σ(I)>	9.6
Completeness [%]	99.8
Redundancy	13.5
CC(1/2)		0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM potassium citrate tribasic, 20% polyethylene glycol 3350