8J63
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CAMD BEAMLINE GCPCC |
Synchrotron site | CAMD |
Beamline | GCPCC |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-01-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.978 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 52.125, 52.125, 228.168 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.408 - 3.001 |
R-factor | 0.232612219336 |
Rwork | 0.226 |
R-free | 0.28910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.790 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.410 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 7383 | 7383 |
<I/σ(I)> | 10.47 | |
Completeness [%] | 99.6 | |
Redundancy | 10.8 | |
CC(1/2) | 0.991 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Na2HPO4/KH2PO4 (pH 6.2), 2M NaCl |