1JSV

The structure of cyclin-dependent kinase 2 (CDK2) in complex with 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	AREA DETECTOR
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	54.032, 72.058, 72.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.960
R-factor	0.162 *
Structure solution method	ISOMORPHOUS CRYSTAL
RMSD bond length	0.013 *
RMSD bond angle	1.900 *
Data reduction software	SAINT (4.0)
Data scaling software	SAINT (V. 4.0)
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.049	0.180
Number of reflections	18495
<I/σ(I)>		4.4
Completeness [%]	91.4	34
Redundancy	3.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	5 *	200mM HEPES, beta-mercaptoethanal, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	reservoir	HEPES	200 (mM)
3	1	reservoir	beta-mercaptoethanol	0.1 (%)