1Q8T

The Catalytic Subunit of cAMP-dependent Protein Kinase (PKA) in Complex with Rho-kinase Inhibitor Y-27632

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	278
Detector technology	IMAGE PLATE
Collection date	2001-07-03
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	74.027, 76.606, 80.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.800 * - 2.000
R-factor	0.182
Rwork	0.176
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016 *
RMSD bond angle	1.440 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.800	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.120 *	0.500 *
Number of reflections	30878
Completeness [%]	97.8 *	88.7

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 (%)