8DTS

X-ray crystal structure of AFSSFN from chaperone DNAJB8.

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	2017-07-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	38.380, 9.480, 30.400
Unit cell angles	90.00, 90.00, 90.01

Refinement procedure

Resolution	19.190 - 0.750
R-factor	0.2053
Rwork	0.203
R-free	0.22550
Structure solution method	AB INITIO PHASING
RMSD bond length	0.007
RMSD bond angle	1.114
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.380	0.770
High resolution limit [Å]	0.750	0.750
Rmerge	0.113	0.582
Rmeas	0.128	0.748
Number of reflections	48640	2698
<I/σ(I)>	5.72	1.31
Completeness [%]	88.5	66.7
Redundancy	3.7	2.3
CC(1/2)	0.991	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	AFSSFN synthetic peptide (Genscript) was dissolved to 30 mg/mL in water and crystallized by hanging drop at a 1:2 ratio with 20% PEG 8000, 100 mM HEPES pH 7.5.