5OQZ

Crystal structure of the lasso peptide rubrivinodin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.799905
Spacegroup name	P 1 21 1
Unit cell lengths	15.034, 27.243, 15.174
Unit cell angles	90.00, 116.76, 90.00

Refinement procedure

Resolution	13.622 - 0.806
R-factor	0.0848
Rwork	0.084
R-free	0.09130
Structure solution method	AB INITIO PHASING
RMSD bond length	0.014
RMSD bond angle	2.147
Data reduction software	XDS (VERSION March 30, 2013)
Data scaling software	XPREP (v. 2014/2)
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	0.800
Number of reflections	9545
<I/σ(I)>	35.85
Completeness [%]	81.8
Redundancy	3
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291.15	0.7 M sodium acetate pH 4.6, 30%(v/v) glycerol, 4.6%(w/v) PEG 4000