3W2T
Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with vildagliptin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.216, 126.237, 137.089 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.360 |
| R-factor | 0.18301 |
| Rwork | 0.180 |
| R-free | 0.23092 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vjm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.319 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.080 | 0.234 |
| Number of reflections | 82418 | |
| <I/σ(I)> | 16.3 | 6.96 |
| Completeness [%] | 97.1 | 91.7 |
| Redundancy | 5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | 20% PEG 4000, 0.18M sodium acetate, 0.18M glycine-sodium hydroxide, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
