3Q28

Cyrstal structure of human alpha-synuclein (58-79) 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	2010-07-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	57.540, 48.570, 57.850
Unit cell angles	90.00, 94.23, 90.00

Refinement procedure

Resolution	19.632 - 1.600
R-factor	0.1527
Rwork	0.152
R-free	0.17280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf
RMSD bond length	0.008
RMSD bond angle	1.118
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]	19.632		1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.083	0.037	0.557
Number of reflections	42173	482	3091
<I/σ(I)>	22.74	51.1	4
Completeness [%]	99.9	94.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	290	0.1M BICINE pH 9.0, 3.2 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 290K