8R3E

Huntingtin, 1-17, MBP-N

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	2017-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 1
Unit cell lengths	96.043, 96.113, 97.673
Unit cell angles	76.40, 80.72, 63.19

Refinement procedure

Resolution	45.790 - 2.910
R-factor	0.25592
Rwork	0.252
R-free	0.32916
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.574
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.790	3.130
High resolution limit [Å]	2.910	2.910
Rmerge	0.101	0.492
Rpim	0.087	0.469
Number of reflections	31781	1590
<I/σ(I)>	6.5	1.8
Completeness [%]	71.1
Redundancy	2
CC(1/2)	0.987	0.385

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	20% (w/v) PEG 6K, 0.24 M Na2 malonate, 10mM ZnCl2 and 0.1 M MES-NaOH, pH6.0