6DKW
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 3.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 93.980, 93.980, 159.270 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 81.390 - 2.910 |
| R-factor | 0.233 |
| Rwork | 0.231 |
| R-free | 0.26200 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.390 | 2.990 |
| High resolution limit [Å] | 2.910 | 2.910 |
| Number of reflections | 18303 | 1321 |
| <I/σ(I)> | 18.6 | 3.5 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 9.9 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | not available |
