2UZU
PKA structures of indazole-pyridine series of AKT inhibitors
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 72.755, 74.748, 80.049 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 20.000 - 2.400 |
| R因子 | 0.3183 |
| Rwork | 0.318 |
| R-free | 0.37070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNS (1.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.490 |
| 分解能 [Å] (高) | 2.400 | 2.400 |
| Rmerge_l_obs | 0.070 | 0.410 |
| 独立反射数 | 17714 | |
| <I/σ(I)> | 8 | 5 |
| 完全性 [%] | 98.9 | 91 |
| 冗長性 | 4.9 | 3.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 |
