5BVO
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2012-05-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.921, 78.360, 75.732 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.580 - 1.980 |
| R-factor | 0.1974 |
| Rwork | 0.195 |
| R-free | 0.24590 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.410 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 78.000 |
| High resolution limit [Å] | 1.980 |
| Number of reflections | 24693 |
| <I/σ(I)> | 11 |
| Completeness [%] | 99.0 |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 17.4%w/v PEG 3350, 0.2M NH4I |
