9CKR

Human G protein-coupled receptor kinase 5-D311N in complex with ATP and magnesium ion

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	2023-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 41 21 2
Unit cell lengths	136.598, 136.598, 70.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 2.800
R-factor	0.2394
Rwork	0.234
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.858
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]	62.690	2.850
High resolution limit [Å]	2.720	2.780
Rmerge	0.190
Number of reflections	18519	1800
<I/σ(I)>	9.6
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)		0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	crystallized in 200mM potassium citrate tribasic, 20% polyethylene glycol 3350, followed by soaking in 25% polyethylene glycol 3350, 10% Glycerol, 1mM ATP, 1mM magnesium chloride