9CKS

Human G protein-coupled receptor kinase 5-D311N in complex with ATP and manganese 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	137.825, 137.825, 71.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.560 - 3.080
R-factor	0.2282
Rwork	0.223
R-free	0.28040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.421
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]	63.320	3.230
High resolution limit [Å]	3.080	3.080
Rmerge	0.251
Number of reflections	13233	1280
<I/σ(I)>	8.3
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)		0.960

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, 500 uM manganese chloride