8UAP

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 41 21 2
Unit cell lengths	137.855, 137.855, 71.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.740 - 2.500
R-factor	0.2294
Rwork	0.227
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.695
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.20_4459+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.100	2.470
High resolution limit [Å]	2.390	2.390
Rmerge	0.144
Number of reflections	27696	2700
<I/σ(I)>	9
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)		0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	220 mM potassium citrate tribasic, 20% PEG3350, crystals soaked in 25% PEG3350, 10% glycerol, 1 mM inhibitor