4E0O

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

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	2011-03-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	30.410, 25.430, 52.530
Unit cell angles	90.00, 91.19, 90.00

Refinement procedure

Resolution	18.370 - 1.820
R-factor	0.1842
Rwork	0.182
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.380
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]	18.370		1.900
High resolution limit [Å]	1.820	8.270	1.850
Rmerge	0.056	0.024	0.411
<I/σ(I)>	10.33	23.54	2.53
Completeness [%]	96.5	88.3	96.2

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