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 |