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