4E0N

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

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	2011-04-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	68.960, 25.440, 53.540
Unit cell angles	90.00, 120.12, 90.00

Refinement procedure

Resolution	19.400 - 1.650
R-factor	0.2108
Rwork	0.209
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.270
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.400		1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.099	0.036	0.575
<I/σ(I)>	7.34	17.21	1.87
Completeness [%]	97.9	90.5	98.1

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