3O9V
Crystal Structure of Human DPP4 Bound to TAK-986
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 92 |
Detector technology | CCD |
Collection date | 2007-03-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 122.166, 122.886, 144.909 |
Unit cell angles | 90.00, 114.59, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.750 |
R-factor | 0.20619 |
Rwork | 0.203 |
R-free | 0.25961 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r9m |
RMSD bond length | 0.010 |
RMSD bond angle | 1.222 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
Rmerge | 0.087 | 0.030 | 0.514 |
Number of reflections | 100525 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 98.9 | 99.4 | 98.6 |
Redundancy | 3.2 | 3.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop, vapor diffusion | 277 | 20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, sitting drop, vapor diffusion, temperature 277K |