2G63
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b
Experimental procedure
Experimental method | 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) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 120.128, 126.502, 127.374 |
Unit cell angles | 90.00, 96.66, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
Rwork | 0.215 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.360 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
Rmerge | 0.121 | 0.077 | 0.918 |
Number of reflections | 351902 | 36707 | 22928 |
<I/σ(I)> | 5.3 | ||
Completeness [%] | 96.0 | ||
Redundancy | 3.6 | 3.6 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |