6HP9
Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.510, 65.890, 162.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.081 - 1.960 |
| R-factor | 0.2069 |
| Rwork | 0.205 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gwr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.835 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.100 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 49094 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 1:2 protein to mother liquor Protein: 12 mg/ml in 50 mM HEPES pH 7.5, 300 mM NaCl, 0.5 mM TCEP, 2% DMSO, 1 mM compound Mother liquor: 25% PEG 1500 |
