4E0M

SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.91609
Spacegroup name	C 1 2 1
Unit cell lengths	58.320, 25.340, 50.780
Unit cell angles	90.00, 122.19, 90.00

Refinement procedure

Resolution	18.220 - 1.750
R-factor	0.1889
Rwork	0.185
R-free	0.22130
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.290
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.220		1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.086	0.044	0.424
<I/σ(I)>	7.83	14.97	2.5
Completeness [%]	99.0	89.4	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	290	0.1M Na/K phosphate buffer pH 6.2, 35% (v/v) 2-methyl-2,4-pentanediol, vapor diffusion, hanging drop, temperature 290K