3OPM
Crystal Structure of Human DPP4 Bound to TAK-294
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 92 |
Detector technology | CCD |
Collection date | 2007-03-09 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 121.771, 122.557, 144.737 |
Unit cell angles | 90.00, 115.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.720 |
R-factor | 0.19749 |
Rwork | 0.195 |
R-free | 0.25447 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.217 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.770 |
High resolution limit [Å] | 2.720 | 2.720 |
Rmerge | 0.114 | 0.590 |
Number of reflections | 100745 | |
<I/σ(I)> | 8 | |
Completeness [%] | 97.5 | 82.7 |
Redundancy | 4.1 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 277 | 23.6% PEG MME 2000, 100 mM Bicine, VAPOR DIFFUSION, SITTING DROP, temperature 277K |