2HHA
The structure of DPP4 in complex with an oxadiazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-19 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.971, 125.584, 136.716 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.350 |
R-factor | 0.206 |
Rwork | 0.185 |
R-free | 0.23300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1x70 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.449 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.104 | 0.491 |
Number of reflections | 83990 | |
<I/σ(I)> | 5.7 | 1.4 |
Completeness [%] | 99.3 | 98.7 |
Redundancy | 6.7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG 4000, SODIUM ACETATE, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |