3DZJ
Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-21 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 |
| 格子定数 [Å] | 41.858, 53.228, 65.670 |
| 格子定数 [度] | 106.11, 91.97, 95.03 |
精密化法
| 残基 | 20.000 - 1.900 |
| R因子 | 0.188 |
| Rwork | 0.185 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yh3 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.019 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.772 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.980 |
| 分解能 [Å] (高) | 1.900 | 1.900 |
| Rmerge_l_obs | 0.090 | 0.436 |
| 独立反射数 | 41633 | |
| <I/σ(I)> | 21.2 | 2.9 |
| 完全性 [%] | 97.5 | 95.2 |
| 冗長性 | 3.8 | 2.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 6 | 298 | 100 mM MES pH 6.0, 15% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
