1YDT

STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE

Experimental procedure

Detector technology	AREA DETECTOR
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 21 21 21
Unit cell lengths	73.580, 76.280, 80.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.300
R-factor	0.194
Rwork	0.194
RMSD bond length	0.013 *
RMSD bond angle	1.900 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.300 *	2.300 *
Rmerge	0.058 *
Number of reflections	12157
Completeness [%]	62.0	26 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	5 *	15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Mes-BisTris	25 (mM)
3	1	drop		75 (mM)
4	1	drop	EDTA	0.1 (mM)
5	1	drop	dithiothreitol	1 (mM)
6	1	drop	octanoyl-N-methylglucamide	1.5 (mM)
7	1	drop	H inhibitor	1.5 (mM)
8	1	drop	PKI-(5-24)	1 (mM)
9	1	reservoir	methanol	15 (%)