29KK

Crystal structure of Human Catenin Beta-1 in complex with linear beta sheet peptide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	63.910, 103.962, 186.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.504 - 2.330
Rwork	0.209
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.137
Data reduction software	DIALS (3.21.1-g807743295-release)
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.142))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.504	2.500
High resolution limit [Å]	2.330	2.330
Rpim	0.039	0.543
Number of reflections	20764	1040
<I/σ(I)>	9.9	0.6
Completeness [%]	92.6	54.3
Redundancy	53.9	54.6
CC(1/2)	1.000	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	100 mM Tris pH 8.25, 12 %(v/v) PEG-3350; 100 mM Tris pH 9, 8 %(v/v) PEG-6000