6KZC
crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-01-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9798 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.811, 54.405, 108.885 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.668 - 2.000 |
R-factor | 0.1903 |
Rwork | 0.187 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.719 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Number of reflections | 22452 | 2191 |
<I/σ(I)> | 17.82 | |
Completeness [%] | 99.8 | |
Redundancy | 12.9 | |
CC(1/2) | 0.997 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1MMES, pH 6.0, 0.15M (NH4)2SO4, 15% PEG 4000 |