1Q8U

The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor H-1152P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	278
Detector technology	AREA DETECTOR
Collection date	2000-08-04
Detector	SIEMENS X1000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	74.220, 76.422, 81.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.910 - 1.900
R-factor	0.173
Rwork	0.171
R-free	0.21700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017 *
RMSD bond angle	1.491 *
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]	10.910	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.060 *	0.510 *
Number of reflections	34029
Completeness [%]	91.8	56

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 (%)