9I8W

Beta-catenin armadillo with cyclic peptide and Compound 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	51.660, 90.470, 120.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.500 - 1.900
R-factor	0.21652
Rwork	0.214
R-free	0.26714
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.673
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	2.000
High resolution limit [Å]	1.890	1.890
Number of reflections	45504	6860
<I/σ(I)>	7.08	0.25
Completeness [%]	98.5
Redundancy	10
CC(1/2)	0.998	0.066

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M ADA pH 6.5, 100 mM ammonium sulfate, 30% w/v PEG MME 5000