6C0T

Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain bound with N46

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	2017-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 42
Unit cell lengths	85.730, 85.730, 50.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.865 - 1.980
R-factor	0.2101
Rwork	0.207
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bg2
RMSD bond length	0.007
RMSD bond angle	0.778
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.620	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.060	0.904
Number of reflections	25870
<I/σ(I)>	15.1
Completeness [%]	99.9
Redundancy	8.9
CC(1/2)	0.999	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	24%w/v PEG1500, 20%v/v glycerol, 3% w/v Trimethylamine N-oxide dihydrate