2XB7

Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-04
Detector	ADSC CCD
Spacegroup name	P 21 21 21
格子定数 [Å]	51.781, 57.307, 105.157
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	29.900 - 2.500
R因子	0.195
Rwork	0.195
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INTERNAL STRUCTURE OF IGF-1R
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]	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	57.260	2.640
分解能 [Å] (高)	2.500	2.500
Rmerge_l_obs	0.090	0.430
独立反射数	11104
<I/σ(I)>	6.9	1.7
完全性 [%]	98.3	99.5
冗長性	4.3	4.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		8.5		18% PEG3350, 0.1 M TRIS/HCL PH 8.5