5VSG

Fibrils of the super helical repeat peptide, SHR-FF, grown at elevated temperature

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	PIXEL
Collection date	2017-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	5.343, 20.883, 16.795
Unit cell angles	90.00, 93.90, 90.00

Refinement procedure

Resolution	16.760 - 1.100
R-factor	0.1169
Rwork	0.114
R-free	0.13420
Structure solution method	AB INITIO PHASING
RMSD bond length	0.012
RMSD bond angle	1.827
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	20.883	1.140
High resolution limit [Å]	1.100	2.370	1.100
Rmerge	0.165	0.123	0.308
Total number of observations	4946
Number of reflections	1367
<I/σ(I)>	6.5
Completeness [%]	89.2	97	53.5
Redundancy	3.6	4.2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.4	310	5% DMSO, 100 mM HEPES