6I42

Structure of the alpha-Synuclein PreNAC/Cyclophilin A-complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	61.034, 61.034, 129.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.400 - 1.380
R-factor	0.1639
Rwork	0.163
R-free	0.17780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kul
RMSD bond length	0.020
RMSD bond angle	2.182
Data reduction software	XDS
Data scaling software	XPREP (2008/2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.400	44.360	1.400
High resolution limit [Å]	1.380	3.890	1.380
Rmerge	0.055	0.036	0.808
Number of reflections	51144	2570	1153
<I/σ(I)>	27.39
Completeness [%]	99.7	99.8	92.6
Redundancy	24.01	22.75	12.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	1.93 M tri-ammonium citrate, pH 7.0