3O0J
PDE4B In complex with ligand an2898
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PILATUS |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 43 21 2 |
| 格子定数 [Å] | 53.611, 53.611, 229.014 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 57.260 - 1.950 |
| R因子 | 0.1867 |
| Rwork | 0.184 |
| R-free | 0.23650 |
| Structure solution method | OTHER |
| 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] | 1.065 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0005) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 57.260 | 2.030 |
| 分解能 [Å] (高) | 1.950 | 1.950 |
| Rmerge_l_obs | 0.058 | 0.383 |
| 独立反射数 | 25081 | |
| 完全性 [%] | 98.3 | 85.1 |
| 冗長性 | 11.6 | 4.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | hanging drop vapor diffusion | 7.4 | 298 | MgCl2, pH 7.4, hanging drop vapor diffusion, temperature 298K |
