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 |