5KVT
THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 64 |
| Unit cell lengths | 75.900, 75.900, 111.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.730 - 2.450 |
| R-factor | 0.19478 |
| Rwork | 0.192 |
| R-free | 0.23856 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 4PMP |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.472 |
| Data reduction software | iMOSFLM (7.2.1) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | BALBES (0.0.1) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.730 | 2.550 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.070 | 0.472 |
| Number of reflections | 13472 | |
| <I/σ(I)> | 13 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.5 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 277 | VAPOR DIFFUSION, HANGING DROP, WELL SOLUTION: 0.1M BIS-TRIS, PH6.5, 2.6-3.0M AMMONIUMACETATE TEMPERATURE 277K |
