6DKI
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2013-06-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.640, 45.510, 79.320 |
Unit cell angles | 90.00, 126.56, 90.00 |
Refinement procedure
Resolution | 40.730 - 2.110 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.22700 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data scaling software | SCALA |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.730 | 2.220 |
High resolution limit [Å] | 2.110 | 2.110 |
Number of reflections | 18843 | 2746 |
<I/σ(I)> | 12.9 | |
Completeness [%] | 99.0 | 99.7 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | Well volume: 20.0 uL Well Ingredients: Polymer: 9.0 %w/v (3.6 uL of stock 50.0 %w/v) PEG 3350 Buffer: 15.8 %v/v (3.16 uL of stock 100.0 %v/v) tacsimate (pH 8.00) Additive: 0.025 M (5.0 uL of stock 0.1 M) TCEP hydrochloride Plate setup temperature: 13 C Plate incubation temperature: 21 C Drop volume from well: 0.01 uL Drop protein volume: 0.2 uL Protein: 6.30 mg/mL |