4EPT
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-10 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| 格子定数 [Å] | 93.055, 93.055, 37.202 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 50.000 - 2.000 |
| R因子 | 0.23157 |
| Rwork | 0.229 |
| R-free | 0.27436 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lf5 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.024 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.024 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0119) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.030 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.113 | 0.280 |
| 独立反射数 | 12614 | |
| <I/σ(I)> | 10.2 | 4.1 |
| 完全性 [%] | 99.5 | 99.7 |
| 冗長性 | 4.7 | 2.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 30% PEG8000, 0.1 M MES, 0.2 M sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
