5Y7J
Crystal structure of human DPP4 in complex with inhibitor2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-18 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 123.238, 119.470, 131.773 |
Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
Resolution | 41.079 - 2.521 |
R-factor | 0.2132 |
Rwork | 0.212 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x70 |
RMSD bond length | 0.001 |
RMSD bond angle | 0.393 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.610 |
High resolution limit [Å] | 2.521 | 2.520 |
Number of reflections | 128592 | |
<I/σ(I)> | 23.8 | 3.19 |
Completeness [%] | 92.7 | 82.6 |
Redundancy | 2.8 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20~28% (w/v) polyethylene glycol 4000, 0.1M HEPES or Tris pH 7.5~8.5 |