1KE5

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

Experimental procedure

実験手法	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
格子定数 [Å]	72.390, 73.960, 54.060
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	8.000 - 2.200
R因子	0.184 *
Rwork	0.184
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.009 *
結合角の平均二乗偏差(RMSD) [度]	1.400 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	500.000 *	2.340
分解能 [Å] (高)	2.200	2.200
Rmerge_l_obs	0.043	0.082
Total number of observations	51192 *
独立反射数	13376
<I/σ(I)>	18.2	15.5
完全性 [%]	87.6	90.6
冗長性	3.8

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	Shewchuk L., (2000) J. Med. Chem., 43, 133. *

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	drop	EDTA	1 (mM)
4	1	reservoir	PEG3340	10 (%)