3EIO
Crystal Structure Analysis of DPPIV Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2005-11-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 119.368, 123.387, 133.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.260 - 2.000 |
| R-factor | 0.239 |
| Rwork | 0.239 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.085 |
| RMSD bond angle | 2.930 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.363 |
| Number of reflections | 129738 | |
| <I/σ(I)> | 18.883 | |
| Completeness [%] | 97.8 | 96.5 |
| Redundancy | 4.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 24% PEG 4000, 300mM Na Acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
