5F1T

Crystal structure of a macrocyclic peptide containing fragments from alpha-synuclein 36-55.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 3
Unit cell lengths	77.518, 77.518, 77.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.759 - 1.971
R-factor	0.1886
Rwork	0.183
R-free	0.22090
RMSD bond length	0.011
RMSD bond angle	1.509
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.760
High resolution limit [Å]	1.971
Number of reflections	11211
<I/σ(I)>	12.38
Completeness [%]	99.8
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296	0.1 M HEPES (pH 8.0), 0.5 M ammonium sulfate, 34% 2-methyl-2,4-pentanediol