2G5P
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 65.515, 126.516, 112.215 |
| 格子定数 [度] | 90.00, 99.10, 90.00 |
精密化法
| 残基 | 50.000 - 2.400 |
| Rwork | 0.201 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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 | 2.490 |
| 分解能 [Å] (高) | 2.400 | 5.170 | 2.400 |
| Rmerge_l_obs | 0.056 | 0.032 | 0.295 |
| 独立反射数 | 61222 | 7048 | 5928 |
| <I/σ(I)> | 12.2 | ||
| 完全性 [%] | 87.2 | ||
| 冗長性 | 3.4 | 3.7 | 3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 |
