6DKB

Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	93
Detector technology	CCD
Collection date	2014-05-17
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	113.490, 45.970, 79.270
Unit cell angles	90.00, 126.97, 90.00

Refinement procedure

Resolution	41.000 - 2.680
R-factor	0.2173
Rwork	0.216
R-free	0.24500
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BUSTER
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.780
High resolution limit [Å]	2.680	2.680
Number of reflections	9290	3222
<I/σ(I)>	15.61	1.64
Completeness [%]	99.9	99.6
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	Well volume: 30.0 uL Drop volume from well: 0.2 uL Drop protein volume: 0.4 uL Well Ingredients: Polymer: 10.0 %w/v (6.0 uL of stock 50.0 %w/v) PEG 3350 Buffer: 16.0 %v/v (4.8 uL of stock 100.0 %v/v) tacsimate (pH 8.00) Organic (non-volatile): 10.0 %v/v (3.0 uL of stock 100.0 %v/v) Ethylene glycol Additive: 0.025 M (1.5 uL of stock 0.5 M) TCEP hydrochloride Plate setup temperature: 13 C Plate incubation temperature: 21 C