4CDD
Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-31 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.291, 84.291, 221.114 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.070 - 2.350 |
| R-factor | 0.18915 |
| Rwork | 0.187 |
| R-free | 0.22302 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.150 |
| 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] | 44.100 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.080 | 0.580 |
| Number of reflections | 38846 | |
| <I/σ(I)> | 7 | 1.5 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 21% PEG3350, 200MM AMSO4, 100MM NA ACCETATE PH 4.5 |
