1H07
CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 53.323, 71.543, 72.550 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 32.350 - 1.850 |
Rwork | 0.210 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
結合角の平均二乗偏差(RMSD) [度] | 22.400 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNX (2000.1) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 32.350 | 1.950 |
分解能 [Å] (高) | 1.850 | 1.850 |
Rmerge_l_obs | 0.096 | 0.191 |
Total number of observations | 53065 * | |
独立反射数 | 21455 | |
<I/σ(I)> | 10.2 | 4.7 |
完全性 [%] | 87.7 * | 71.6 |
冗長性 | 2.5 | 2.1 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | unknown * | 7 | Lawrie, A.M., (1997) Nat.Struct.Biol., 4, 796. * |