2QKY
complex structure of dipeptidyl peptidase IV and a oxadiazolyl ketone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-04-19 |
| Detector | MAC Science DIP-2030 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.178, 106.115, 132.051 |
| Unit cell angles | 76.30, 78.62, 80.11 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n1m |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.118 | 0.362 |
| Number of reflections | 64035 | |
| <I/σ(I)> | 6.1 | 2.11 |
| Completeness [%] | 97.0 | 96.4 |
| Redundancy | 1.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 24% PEG MME 2K, 0.1M Bicine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
