1DI8

THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-02-16
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	72.752, 74.076, 54.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 2.200
R-factor	0.185 *
Rwork	0.186
R-free	0.22700 *
RMSD bond length	0.009 *
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.093 *	0.200
Total number of observations	160386 *
Number of reflections	14980
<I/σ(I)>	36
Completeness [%]	97.5	96.3
Redundancy	10	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	20MM HEPES, 1MM EDTA, 10% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	20 (mM)	pH7.5
3	1	drop	EDTA	1 (mM)
4	1	reservoir	PEG3340	10 (%)