9MX2

Human G protein-coupled receptor kinase 5-D311N in complex with sangivamycin soaked in pH 6

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]	277
Detector technology	PIXEL
Collection date	2024-07-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920120
Spacegroup name	P 41 21 2
Unit cell lengths	140.309, 140.309, 78.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.950 - 3.900
R-factor	0.2845
Rwork	0.278
R-free	0.34630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.027
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.090	4.080
High resolution limit [Å]	3.760	3.860
Number of reflections	83520	1667
<I/σ(I)>	4.7
Completeness [%]	99.8
Redundancy	16.2
CC(1/2)	0.991	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	20% PEG3350, 200 mM potassium citrate tribasic pH 8.5, soaked in the same solution at pH 6