3DU8

Crystal structure of GSK-3 beta in complex with NMS-869553A

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0090
Spacegroup name	P 21 21 21
格子定数 [Å]	82.599, 85.810, 178.043
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	30.000 - 2.200
R因子	0.215
Rwork	0.214
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q3d
結合長の平均二乗偏差(RMSD) [Å]	0.018
結合角の平均二乗偏差(RMSD) [度]	1.625
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	2.280
分解能 [Å] (高)	2.200	2.200
Rmerge_l_obs	0.082	0.446
独立反射数	58862
<I/σ(I)>	12
完全性 [%]	90.5	47.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	8	293	20% w/v PEG 3350, 100 mM Hepes pH 8.0, 20 mM MgCl2, 10% v/v Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K