6R8R

Structure of the Wnt deacylase Notum in complex with isoquinoline 45

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	2018-02-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	60.340, 71.720, 78.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.200 - 1.270
R-factor	0.1492
Rwork	0.148
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uz1
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15rc3_3435)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.200	1.290
High resolution limit [Å]	1.270	1.270
Number of reflections	90021	4441
<I/σ(I)>	13.66
Completeness [%]	100.0
Redundancy	13
CC(1/2)	0.999	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	300	1.4 M ammonium sulphate, 0.1 M citric acid, pH 4