2AYP

Crystal Structure of CHK1 with an Indol Inhibitor

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2001-01-01
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
格子定数 [Å]	45.043, 65.698, 57.860
格子定数 [度]	90.00, 94.39, 90.00

精密化法

残基	19.680 - 2.900
Rwork	0.209
R-free	0.31400
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNX (2000)
Refinement software	CNX (2000)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	3.000
分解能 [Å] (高)	2.900	2.900
独立反射数	6649
完全性 [%]	88.0	97

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	PEG 8000, Isopropanol, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K