2G5T
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag
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 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 65.733, 126.788, 112.292 |
| 格子定数 [度] | 90.00, 99.49, 90.00 |
精密化法
| 残基 | 50.000 - 2.300 |
| Rwork | 0.190 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合角の平均二乗偏差(RMSD) [度] | 0.006 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 50.000 | 2.380 |
| 分解能 [Å] (高) | 2.300 | 4.950 | 2.300 |
| Rmerge_l_obs | 0.076 | 0.051 | 0.266 |
| 独立反射数 | 75716 | 8215 | 5212 |
| <I/σ(I)> | 8.4 | ||
| 完全性 [%] | 93.6 | ||
| 冗長性 | 3.5 | 3.8 | 2.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 |
