7LV3

Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	77
Detector technology	CCD
Collection date	2018-08-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	99.832, 112.824, 150.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.380 - 2.410
R-factor	0.2008
Rwork	0.200
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcs 4z07
RMSD bond length	0.005
RMSD bond angle	0.878
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.496
High resolution limit [Å]	2.410	2.410
Rmerge	0.103	0.100
Number of reflections	66393	6568
<I/σ(I)>	20.93
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.999	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	120 mM ethylene glycol, 100 mM Bicine (pH 8.5), 20 % w/v PEG 8,000