6M90

Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	82.760, 82.760, 111.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.695 - 2.050
R-factor	0.1796
Rwork	0.178
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p22
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.695	27.695	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.043	0.022	1.434
Rmeas	0.048	0.026	1.608
Total number of observations	258335
Number of reflections	53275	408	3926
<I/σ(I)>	18.33	50.79	1.09
Completeness [%]	99.2	68.8	98.8
Redundancy	4.849	3.9	4.801
CC(1/2)	0.999	0.998	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	8% PEG 4000 0.1M BTP pH 5.5