6M91

Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-24
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 31
Unit cell lengths	82.490, 82.490, 111.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.063 - 2.400
R-factor	0.1923
Rwork	0.191
R-free	0.21630
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]	44.063	44.063	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.044	0.020	1.391
Rmeas	0.051	0.023	1.589
Total number of observations	140329
Number of reflections	33157	336	2474
<I/σ(I)>	17.69	52.33	0.99
Completeness [%]	99.5	90.8	99.4
Redundancy	4.232	4.021	4.247
CC(1/2)	0.999	0.999	0.397

Crystallization Conditions

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