9BRF

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL004-21

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	138.014, 138.014, 71.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.580 - 2.840
R-factor	0.2237
Rwork	0.218
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.584
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]	29.580	2.940
High resolution limit [Å]	2.840	2.840
Number of reflections	16842	16435
<I/σ(I)>	16.8
Completeness [%]	99.8
Redundancy	13.4
CC(1/2)	0.998	0.855

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