4CDF
Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-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 | 2009-07-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.850, 84.850, 222.452 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.280 - 2.200 |
| R-factor | 0.21865 |
| Rwork | 0.217 |
| R-free | 0.25475 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.224 |
| 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] | 44.340 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.160 | 0.390 |
| Number of reflections | 47703 | |
| <I/σ(I)> | 8.7 | 1.8 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 9.7 | 8.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 21% PEG3350, 200MM AMSO4, 100MM NA ACETATE PH 4.5 |
