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 |