9DAI

Crystal structure of Trk-A in complex with Staurosporin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	95
Detector technology	CCD
Collection date	2014-05-17
Detector	RAYONIX MX-300
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	113.529, 45.612, 79.473
Unit cell angles	90.00, 127.06, 90.00

Refinement procedure

Resolution	45.300 - 2.864
R-factor	0.2204
Rwork	0.218
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.980
High resolution limit [Å]	2.864	2.864
Rmerge	0.122	0.756
Number of reflections	7577	718
<I/σ(I)>	12.2	2
Completeness [%]	99.3	95.4
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		286.15	Well volume: 30.0 uL Well Ingredients: Polymer: 10.0 %w/v PEG 3350 Buffer: 16.0 %v/v tacsimate (pH 8.00) Organic (non-volatile): 10.0 %v/v Ethylene glycol Additive: 0.025 M TCEP hydrochloride Plate setup temperature: 13 C Plate incubation temperature: 21 C Drop volume from well: 0.2 uL Drop protein volume: 0.4 uL (6.3mg/ml)