9BRP

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL047-22

This is a non-PDB format compatible entry.

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	139.883, 139.883, 72.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.2453
Rwork	0.241
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.591
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.250	2.840
High resolution limit [Å]	2.790	2.790
Number of reflections	18460	890
<I/σ(I)>	14.5
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.999	0.306

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