2OGZ
Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.595, 122.304, 112.721 |
| Unit cell angles | 90.00, 100.20, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n1m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.409 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.132 | 0.500 |
| Number of reflections | 83477 | |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 86.9 | 58.1 |
| Redundancy | 3.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | PEG4000, SODIUM ACETATE, pH 8, VAPOR DIFFUSION, temperature 293K |
