8UAQ

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21

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]	100
Detector technology	PIXEL
Collection date	2023-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 41 21 2
Unit cell lengths	138.248, 138.248, 71.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 2.800
R-factor	0.2319
Rwork	0.227
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.523
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]	63.200	2.660
High resolution limit [Å]	2.570	2.570
Rmerge	0.188
Number of reflections	22460	2187
<I/σ(I)>	8.9
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.936	0.936

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