8T19

RiPP precursor peptide recognition element (RRE) domain of Ocin-ThiF-like partner protein, PbtF, bound to an 8 residue fragment of its precursor peptide, PbtA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	40.259, 40.259, 101.839
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.990 - 1.230
R-factor	0.223
Rwork	0.221
R-free	0.25580
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.897
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.990	1.274
High resolution limit [Å]	1.230	1.230
Rmerge	0.012	0.232
Rmeas	0.017	0.329
Rpim	0.012	0.232
Number of reflections	28683	2805
<I/σ(I)>	24.06	2.75
Completeness [%]	99.8	100
Redundancy	2	2
CC(1/2)	1.000	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	27.5% PEG 3350, 0.2 M MgCl2, 0.1 M tris pH 8.0