5Y7H
Crystal structure of human DPP4 in complex with inhibitor3
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 | 2007-10-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.301, 126.420, 113.382 |
Unit cell angles | 90.00, 100.43, 90.00 |
Refinement procedure
Resolution | 46.172 - 3.000 |
R-factor | 0.2015 |
Rwork | 0.199 |
R-free | 0.24490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x70 |
RMSD bond length | 0.001 |
RMSD bond angle | 0.417 |
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 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 35739 | |
<I/σ(I)> | 18.25 | 4.19 |
Completeness [%] | 91.5 | 75.6 |
Redundancy | 2.1 | 1.4 |
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 |