5H3Q
Crystal Structure of TrkA kinase with ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 140.845, 157.195, 52.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.810 - 2.100 |
| R-factor | 0.1898 |
| Rwork | 0.188 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f0i |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.137 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.100 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.114 | 1.688 |
| Number of reflections | 32612 | |
| <I/σ(I)> | 13.98 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.2M Sodium Tartrate, 100mM Tris-HCl pH 8.5, 5 mM DTT |
