3WQH
Crystal Structure of human DPP-IV in complex with Anagliptin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-14 |
Detector | RAYONIX MX225HE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.160, 68.990, 419.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.670 - 2.850 |
Rwork | 0.227 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bjm |
RMSD bond length | 0.012 |
RMSD bond angle | 1.853 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PRIME-X (2.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.110 | 2.920 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.149 | |
Number of reflections | 45509 | |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | 18% PEG 4000, 15% PEG 1000, 0.15M Na/K-Phosphate, pH 6.5, VAPOR DIFFUSION, temperature 293K |