4CDC
Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 |
| Unit cell lengths | 84.276, 84.276, 224.626 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.19278 |
| Rwork | 0.191 |
| R-free | 0.23250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.176 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.150 | 0.560 |
| Number of reflections | 67307 | |
| <I/σ(I)> | 4.1 | 1.1 |
| Completeness [%] | 96.1 | 96.6 |
| Redundancy | 1.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 21% PEG3350, 200MM AMSO4, 100MM NA ACETATE PH 4.5 |
