5FDP
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
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 | 2015-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.300, 63.150, 107.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.750 - 2.250 |
| R-factor | 0.1908 |
| Rwork | 0.186 |
| R-free | 0.26850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ckr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 41.750 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.344 | 0.876 |
| Rpim | 0.168 | 0.445 |
| Number of reflections | 15300 | |
| <I/σ(I)> | 4.4 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.5 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 20% Polyethylene glycol 3350, 10% ethylene glycol, 0.1M Bis-tris propane pH 6.5, 0.2M Sodium Acetate |
