5YP3
Crystal structure of dipeptidyl peptidase IV (DPP IV) with Ile-Pro from Pseudoxanthomonas mexicana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2012-12-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9788 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 119.880, 120.120, 262.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.440 |
| R-factor | 0.24066 |
| Rwork | 0.238 |
| R-free | 0.28627 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yp1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.772 |
| Data reduction software | xia2 (0.5.436) |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.060 | 2.470 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.087 | 0.432 |
| Rmeas | 0.094 | 0.515 |
| Rpim | 0.034 | 0.271 |
| Number of reflections | 139194 | 5737 |
| <I/σ(I)> | 14.3 | 2 |
| Completeness [%] | 97.3 | 81.2 |
| Redundancy | 6.7 | 3.3 |
| CC(1/2) | 0.998 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 12% PEG 20000, 0.1M MES pH6.5, 20% Glycerol, 5.5mM DiprotinA(IPI) |
