6RA5

Human tnik in complex with compound 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 32
Unit cell lengths	53.793, 53.793, 253.363
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.800 - 2.900
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	AMoRE
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	17691	1355
<I/σ(I)>	10.9
Completeness [%]	98.9
Redundancy	2.5
CC(1/2)		0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	8% PEG 8K w/v, 0.1M PCTP (pH 8.0), 0.8% ethylene glycol v/v