6YUY

STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471

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	2018-09-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	59.400, 73.080, 78.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.540 - 2.000
R-factor	0.1963
Rwork	0.194
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uz1
RMSD bond length	0.008
RMSD bond angle	0.883
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_3699)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.150	1.710
High resolution limit [Å]	1.680	1.680
Rmeas	0.088	1.666
Number of reflections	39826	1936
<I/σ(I)>	13.8
Completeness [%]	100.0	99.4
Redundancy	12.2
CC(1/2)	1.000	0.800

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