3OC0
Structure of human DPP-IV with HTS hit (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine
Replaces: 3KWHExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.561, 68.487, 421.411 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 2.700 |
Rwork | 0.236 |
R-free | 0.28600 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 12.000 |
High resolution limit [Å] | 2.700 |
Number of reflections | 38001 |
Completeness [%] | 75.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |