9BRK

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL098-22

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 41 21 2
Unit cell lengths	137.521, 137.521, 70.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.650 - 2.700
R-factor	0.2229
Rwork	0.217
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.723
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.470	2.840
High resolution limit [Å]	2.700	2.770
Number of reflections	18999	1275
<I/σ(I)>	15.4
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	0.997	0.881

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