3Q26

Cyrstal structure of human alpha-synuclein (10-42) fused to maltose binding protein (MBP)

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	2010-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	48.740, 57.490, 127.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.615 - 1.540
R-factor	0.142
Rwork	0.140
R-free	0.18310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf
RMSD bond length	0.009
RMSD bond angle	1.180
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]	63.615		1.580
High resolution limit [Å]	1.540	6.890	1.540
Rmerge	0.077	0.039	0.561
Number of reflections	53765	697	3911
<I/σ(I)>	17.72	36.8	3.6
Completeness [%]	100.0	100	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	0.2M tri-lithium citrate, 2.2 M ammonium sulfate, pH 8.0, vapor diffusion, hanging drop, temperature 290K