6GWR
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.200, 118.750, 61.430 |
| Unit cell angles | 90.00, 92.05, 90.00 |
Refinement procedure
| Resolution | 30.695 - 2.070 |
| R-factor | 0.2024 |
| Rwork | 0.201 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.588 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.700 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Number of reflections | 69417 | |
| <I/σ(I)> | 6.12 | |
| Completeness [%] | 98.6 | |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% ethylene glycol -- 0.2M sodium sulfate -- 24% PEG3350 -- 0.1M bis-tris-propane pH 7.1 |
