9BRM

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL077-22

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	137.598, 137.598, 70.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.690 - 2.730
R-factor	0.2339
Rwork	0.229
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.712
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]	29.490	2.800
High resolution limit [Å]	2.730	2.730
Number of reflections	18599	1320
<I/σ(I)>	16
Completeness [%]	99.8
Redundancy	13.2
CC(1/2)	0.998	0.786

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