1KE5

CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-02-23
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	72.390, 73.960, 54.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.184 *
Rwork	0.184
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	1.400 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000 *	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.043	0.082
Total number of observations	51192 *
Number of reflections	13376
<I/σ(I)>	18.2	15.5
Completeness [%]	87.6	90.6
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	Shewchuk L., (2000) J. Med. Chem., 43, 133. *

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)
3	1	drop	EDTA	1 (mM)
4	1	reservoir	PEG3340	10 (%)