8J61

The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-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	2022-09-05
Detector	RAYONIX MX-300
Wavelength(s)	0.978
Spacegroup name	P 31 1 2
Unit cell lengths	51.729, 51.729, 228.592
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.864 - 3.051
R-factor	0.209250747515
Rwork	0.204
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.830
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]	25.900	3.160
High resolution limit [Å]	3.050	3.050
Number of reflections	6942	6942
<I/σ(I)>	15.14
Completeness [%]	99.7
Redundancy	19.6
CC(1/2)	0.664	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M Na2HPO4/KH2PO4 (pH 6.2), 2M NaCl