6R8Q

STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	60.099, 71.262, 78.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.689 - 1.500
R-factor	0.1566
Rwork	0.155
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uz1
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.15rc3_3435)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.690	1.520
High resolution limit [Å]	1.500	1.500
Number of reflections	54581	2568
<I/σ(I)>	9.62
Completeness [%]	99.9
Redundancy	12.53
CC(1/2)	0.998	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	295	1.4 M AMMONIUM SULPHATE, 0.1 M CITRIC ACID, PH 4.0