2OJG

Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-09-01
Detector	RIGAKU
Spacegroup name	P 1 21 1
格子定数 [Å]	48.665, 70.776, 60.141
格子定数 [度]	90.00, 109.03, 90.00

精密化法

残基	19.970 - 2.000
R因子	0.22
Rwork	0.216
R-free	0.26000
Structure solution method	FOURIER SYNTHESIS
結合長の平均二乗偏差(RMSD) [Å]	0.005
結合角の平均二乗偏差(RMSD) [度]	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	CNS

Quality characteristics

	Overall
分解能 [Å] (低)	20.000
分解能 [Å] (高)	2.000
Rmerge_l_obs	0.048
独立反射数	23772
<I/σ(I)>	14.8
完全性 [%]	93.1
冗長性	2.77

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION	7.2	298	protein: 14 mg/ml, 20 mM Tris, pH 7.0, 5 mM DTT, 200 mM NaCl. precipitant: 100 mM HEPES, pH 7.2, 28-30% PEG-MME-2000, 200 mM Ammonium Sulfate, 20 mM 2-ME, VAPOR DIFFUSION, temperature 298K