3F8S
Crystal structure of dipeptidyl peptidase IV in complex with 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 | 2004-12-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.429, 67.141, 421.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.430 |
| R-factor | 0.24586 |
| Rwork | 0.243 |
| R-free | 0.29496 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2qjr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.330 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0003) |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.109 | 0.325 |
| Number of reflections | 34242 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 75.0 | 32 |
| Redundancy | 3.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
