7N3T

TrkA ECD complex with designed miniprotein ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	42.203, 205.695, 72.569
Unit cell angles	90.00, 106.42, 90.00

Refinement procedure

Resolution	41.360 - 1.840
R-factor	0.215
Rwork	0.214
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ifg
RMSD bond length	0.011
RMSD bond angle	1.143
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	XDS (Mar 15, 2019)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.850	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.194	5.786
Rmeas	0.210	6.354
Rpim	0.079	2.572
Number of reflections	99914	4360
<I/σ(I)>	6.7	0.3
Completeness [%]	98.3	87
Redundancy	6.9	5.8
CC(1/2)	0.997	0.094

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	295	0.4 M ammonium sulfate, 0.1 M bis-tris pH 6.2, 16% PEG 3350.