1PKD
THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 73.620, 134.570, 147.970 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 100.000 - 2.300 |
R因子 | 0.21818 |
Rwork | 0.215 |
R-free | 0.26831 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qmz |
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] | 1.540 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.19) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 100.000 | 2.380 |
分解能 [Å] (高) | 2.300 | 2.300 |
独立反射数 | 57525 | |
<I/σ(I)> | 4.3 | 2.6 |
完全性 [%] | 87.8 | 80.8 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 1.25M (NH4)2SO4, 0.8M KCl, 100mM HEPES, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |