5UN6

Frizzled-8 complex with designed surrogate Wnt agonist, A1 dataset

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 2 1
Unit cell lengths	116.420, 36.450, 125.530
Unit cell angles	90.00, 93.73, 90.00

Refinement procedure

Resolution	19.816 - 3.200
R-factor	0.2047
Rwork	0.200
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f0a calculated model of B12
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	XDS (March 30, 2013)
Data scaling software	XSCALE (June 17, 2015)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.760	3.418
High resolution limit [Å]	3.200	3.200
Number of reflections	17882	800
<I/σ(I)>	12.88
Completeness [%]	99.8	100
Redundancy	4.1
CC(1/2)	0.996	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	20% PEG 3000, 0.1 M Sodium citrate pH 5.5