6PMC

TRK-A IN COMPLEX WITH LIGAND 1a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9282
Spacegroup name	P 31 1 2
Unit cell lengths	52.657, 52.657, 233.544
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.640 - 2.190
R-factor	0.25
Rwork	0.246
R-free	0.29840
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	1.901
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.850	2.440
High resolution limit [Å]	2.190	2.190
Number of reflections	18645	5039
<I/σ(I)>	15.19
Completeness [%]	95.1	94.4
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.10M KH2PO4/ 0.10M NaH2PO4/ 0.1M MES/NaOH pH = 6.00 and 1.9M NaCl (cryo: 25% glycerol in reservoir), or 18% (w/v) PEG 3350, 0.2M CaCl2, 0.10M, MES pH = 6.50 (cryo: direct)