3O95
Crystal Structure of Human DPP4 Bound to TAK-100
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 | 2007-03-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 121.718, 123.335, 144.419 |
Unit cell angles | 90.00, 114.78, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.850 |
R-factor | 0.1901 |
Rwork | 0.187 |
R-free | 0.24850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.237 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.850 | 7.460 | 2.850 |
Rmerge | 0.106 | 0.032 | 0.510 |
Number of reflections | 89585 | ||
<I/σ(I)> | 7.7 | ||
Completeness [%] | 99.3 | 99.9 | 92.4 |
Redundancy | 3.3 | 3.3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |