3G0C
Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.844, 122.774, 145.106 |
| Unit cell angles | 90.00, 114.68, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.690 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g0b |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.258 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.690 | 6.630 | 2.690 |
| Rmerge | 0.095 | 0.040 | 0.608 |
| Number of reflections | 108584 | ||
| <I/σ(I)> | 12.623 | ||
| Completeness [%] | 99.9 | 99.8 | 100 |
| Redundancy | 4 | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.8 | 277 | 22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K |
