4BZO
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-12 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 65 |
格子定数 [Å] | 97.932, 97.932, 81.431 |
格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
残基 | 30.000 - 2.100 |
R因子 | 0.18315 |
Rwork | 0.181 |
R-free | 0.21643 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
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] | 1.334 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 30.000 | 2.180 |
分解能 [Å] (高) | 2.100 | 2.100 |
Rmerge_l_obs | 0.090 | 0.550 |
独立反射数 | 25928 | |
<I/σ(I)> | 13 | 3.2 |
完全性 [%] | 99.6 | 99.5 |
冗長性 | 5.6 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | 20% PEG 3350K, 0.3 M NACL, 0.1 M TRISHCL PH 7.6 |