5LLS
Porcine dipeptidyl peptidase IV in complex with 8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.900, 117.680, 133.120 |
| Unit cell angles | 112.70, 94.60, 91.20 |
Refinement procedure
| Resolution | 35.280 - 2.410 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.22800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2aj8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.280 |
| High resolution limit [Å] | 2.410 |
| Number of reflections | 111933 |
| <I/σ(I)> | 9.2 |
| Completeness [%] | 80.3 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 26% PEG 2000, 0.1 M Tris pH 8, 0.1 M ammonium sulfate |
