5N10

Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977980
Spacegroup name	C 1 2 1
Unit cell lengths	133.807, 57.571, 93.450
Unit cell angles	90.00, 98.64, 90.00

Refinement procedure

Resolution	50.322 - 1.600
R-factor	0.1701
Rwork	0.170
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bq0
RMSD bond length	0.011
RMSD bond angle	1.182
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	66.140
High resolution limit [Å]	1.070
Rmerge	0.080
Number of reflections	92397
<I/σ(I)>	13.5
Completeness [%]	99.6
Redundancy	6.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	PEG 1500, sodium citrate