2GBF
rat dpp-IV with alkynyl cyanopyrrolidine #1
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 3 |
| 格子定数 [Å] | 208.171, 208.171, 208.171 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 20.000 - 3.100 |
| Rwork | 0.250 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 1.530 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 50.000 | 3.240 |
| 分解能 [Å] (高) | 3.100 | 6.200 | 3.100 |
| Rmerge_l_obs | 0.125 | 0.061 | 0.531 |
| 独立反射数 | 54268 | 7011 | 6686 |
| <I/σ(I)> | 8.3 | ||
| 完全性 [%] | 99.8 | ||
| 冗長性 | 5.7 | 6 | 5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 290 | 2.8 M ammonium sulfate and 100mM sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
