9BRE

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL019-21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9201
Spacegroup name	P 41 21 2
Unit cell lengths	137.973, 137.973, 70.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 2.800
R-factor	0.2153
Rwork	0.210
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.545
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.550	2.720
High resolution limit [Å]	2.660	2.660
Number of reflections	20288	20593
<I/σ(I)>	16.7
Completeness [%]	99.9
Redundancy	13.5
CC(1/2)	0.998	0.877

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