4CDE
Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-19 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.350, 84.350, 224.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.19592 |
| Rwork | 0.194 |
| R-free | 0.24174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.249 |
| 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] | 42.170 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.320 |
| Number of reflections | 37102 | |
| <I/σ(I)> | 5.8 | 2.35 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 5.88 | 5.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 21% PEG3350, 200MM AMSO4, 100MM NA ACETATE PH 4.5 |
