5FDX
Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92818 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.548, 120.340, 63.020 |
| Unit cell angles | 90.00, 94.87, 90.00 |
Refinement procedure
| Resolution | 43.440 - 2.650 |
| R-factor | 0.198 |
| Rwork | 0.194 |
| R-free | 0.27340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ckr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.440 | 2.780 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.093 | 0.757 |
| Rpim | 0.072 | 0.629 |
| Number of reflections | 19393 | |
| <I/σ(I)> | 5.5 | 0.8 |
| Completeness [%] | 98.6 | 99.2 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% PEG3350 10% ethylene glycol 0.1M bis-tris-propane pH6.5 0.2M sodium acetate |
