1Q8W

The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor Fasudil (HA-1077)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	278
Detector technology	AREA DETECTOR
Detector	SIEMENS X1000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	70.330, 73.670, 79.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.22
Rwork	0.216
R-free	0.29300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021 *
RMSD bond angle	1.830 *
Data reduction software	ASTRO
Data scaling software	SAINT
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.100 *	0.340 *
Number of reflections	17661
Completeness [%]	82.4	59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	278	LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		75 (mM)
2	1	drop	MES-bis-tris	25 (mM)	pH6.4
3	1	reservoir	methanol	15 (%)