9BRI

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL064-22

This is a non-PDB format compatible entry.

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	137.850, 137.850, 70.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.530 - 2.900
R-factor	0.2174
Rwork	0.213
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.699
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]	29.530	2.970
High resolution limit [Å]	2.900	2.900
Number of reflections	15665	15481
<I/σ(I)>	13.8
Completeness [%]	99.8
Redundancy	13.8
CC(1/2)	0.997	0.900

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