1PYX
GSK-3 Beta complexed with AMP-PNP
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-06 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 82.691, 85.209, 178.138 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 30.000 * - 2.400 |
Rwork | 0.206 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h8f |
結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
結合角の平均二乗偏差(RMSD) [度] | 23.200 * |
Data scaling software | SCALEPACK |
Refinement software | CNX (2002) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 19.900 | 2.490 |
分解能 [Å] (高) | 2.400 | 2.400 |
Rmerge_l_obs | 0.076 * | 0.518 * |
Total number of observations | 206766 * | |
独立反射数 | 50028 * | |
<I/σ(I)> | 16 | 3.1 |
完全性 [%] | 98.9 | 100 |
冗長性 | 4.1 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | Vapor diffusion, hanging drop * | 7.2 * | 20 * | PEG 3350 monodisperse, Glycerol, Magnesium Chloride, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.00 |
文献の結晶化試薬
ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
1 | 1 | drop | protein | 12 (mg/ml) | |
2 | 1 | drop | glycerol | 10 (%) | |
3 | 1 | drop | 185 (mM) | ||
4 | 1 | drop | HEPES | 100 (mM) | pH7.2 |
5 | 1 | reservoir | PEG3350 monodisperse | 16-24 (%(w/v)) | |
6 | 1 | reservoir | glycerol | 5 (%) | |
7 | 1 | reservoir | 20 (mM) | ||
8 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |