3LCB
The crystal structure of isocitrate dehydrogenase kinase/phosphatase in complex with its substrate, isocitrate dehydrogenase, from Escherichia coli.
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9879 |
Spacegroup name | P 63 |
格子定数 [Å] | 196.801, 196.801, 156.458 |
格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
残基 | 30.000 - 2.900 |
R因子 | 0.192 |
Rwork | 0.190 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
結合角の平均二乗偏差(RMSD) [度] | 1.139 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 30.000 | 3.000 |
分解能 [Å] (高) | 2.900 | 2.900 |
Rmerge_l_obs | 0.114 | 0.572 |
独立反射数 | 38980 | |
<I/σ(I)> | 21.8 | 1.4 |
完全性 [%] | 99.3 | 99.4 |
冗長性 | 14.9 | 14 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 25% PEG 300, 0.1M MES, 0.05M magnesium chloride, 0.002M DTT,10% Glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |