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 |