6RA7

Human tnik in complex with compound 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	48.916, 53.667, 127.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	128.000 - 1.200
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AMoRE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.000	1.300
High resolution limit [Å]	1.200	1.200
Number of reflections	400672	955
<I/σ(I)>	13.3
Completeness [%]	72.4
Redundancy	2.4
CC(1/2)	0.993	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	25% PEG3350 w/v, 0.1M PCTP (pH 8.0), 200 mM sodium formate w/v