5WR7
Crystal structure of Trk-A complexed with a selective inhibitor CH7057288
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-15 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 104.262, 104.262, 203.609 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 82.540 - 2.760 |
| R-factor | 0.20818 |
| Rwork | 0.206 |
| R-free | 0.23434 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RIGID BODY |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.197 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.8.0049) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.540 | 3.010 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.119 | 0.435 |
| Number of reflections | 11208 | |
| <I/σ(I)> | 13.7 | 4.6 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.05-0.15M KH2PO4, 0.1M MES pH 6.25, 1.5-2.5M NaCl, 0.05-0.15M NaH2PO4, 0.01M TCEP HCl |
