4WBH

STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I APO - 2.2A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	72.702, 175.433, 60.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.720 - 2.200
R-factor	0.2169
Rwork	0.215
R-free	0.26157
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.608
Number of reflections	40214
<I/σ(I)>	10.1	1.9
Completeness [%]	99.7	99
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	30% PEG3350, 100mM BisTris 6.0, 5% Glycerol, 200mM Ammonium Sulfate