1ATP

2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor

Experimental procedure

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	10.000 - 2.200
R-factor	0.177 *
Rwork	0.177
RMSD bond length	0.013
RMSD bond angle	2.200
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.200 *	2.200 *
Rmerge	0.069 *	0.079 *
Number of reflections	21443 *
Completeness [%]	90.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	4 *	Zheng, J., (1993) Biochemistry, 32, 2154. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Bicine	50 (mM)
3	1	drop	ammonium acetate	150 (mM)
4	1	drop	dithiothreitol	10 (mM)
5	1	drop	PEG400	8 (%(w/v))
6	1	reservoir	dithiothreitol	10 (mM)
7	1	reservoir	PEG400	8 (%(w/v))
8	1	reservoir	methanol	15 (%)