1JKL

1.6A X-RAY STRUCTURE OF BINARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	46.740, 62.400, 88.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 1.620
R-factor	0.201
Rwork	0.201
R-free	0.21800
RMSD bond length	0.010
RMSD bond angle	1.250 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.680
High resolution limit [Å]	1.620	1.620
Rmerge	0.037	0.270 *
Number of reflections	32120 *	2936 *
Completeness [%]	97.7	94.2
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		PROTEIN, AMPPNP, AMMONIUM SULFATE, TRIS-HL, pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop		0.1 (M)
6	1	drop	AMPPnP	2 (mM)
7	1	reservoir	ammonium sulfate	1.6 (M)
8	1	reservoir	Tris-HCl	100 (mM)	pH8.0