4PNZ
Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102)
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 | 2009-12-16 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.940, 125.777, 137.085 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.150 - 1.900 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.19740 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1x70 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.069 | 0.566 |
Number of reflections | 160170 | |
<I/σ(I)> | 10.5 | |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20-25% PEG4000, 200 mM sodium acetate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |