6NPT

TRK-A IN COMPLEX WITH LIGAND 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 1 2
Unit cell lengths	52.084, 52.084, 225.611
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.200 - 2.190
R-factor	0.22743
Rwork	0.223
R-free	0.27646
RMSD bond length	0.009
RMSD bond angle	1.318
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.200	2.440
High resolution limit [Å]	2.190	2.190
Rmerge	0.038	0.434
Number of reflections	18386	5012
<I/σ(I)>	21.78
Completeness [%]	99.1	99.1
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	The protein at a concentration of 10 mg/ml was mixed with 2mM of the ligand (diluted from 100 mM DMSO stock solution) for 1 hour on ice and crystallized at 4 deg C (hanging drop) from: 0.10 M KH2PO4/ 0.10 M NaH2PO4/ 0.10 M MES/NaOH pH 6.00 and 1.90 M NaCl (cryo: 25% glycerol in reservoir), or 18.00 % (w/v) PEG 3350, 0.20 M CaCl2, 0.10 M, MES pH=6.50 (cryo: direct).