3Q25

Crystal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97914
Spacegroup name	P 43 21 2
Unit cell lengths	77.470, 77.470, 172.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.795 - 1.900
R-factor	0.1708
Rwork	0.170
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf
RMSD bond length	0.006
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.795		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.051	0.025	0.557
Number of reflections	42116	454	3069
<I/σ(I)>	25.26	50.4	4.5
Completeness [%]	99.5	79.2	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	2.2 M AMMONIUM SULFATE, 20% (w/v) GLYCEROL, pH 8.0, vapor diffusion, hanging drop, temperature 290K