5ODW

Structure of the FpvAI-pyocin S2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8729
Spacegroup name	I 2 2 2
Unit cell lengths	115.524, 209.390, 215.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.970 - 2.800
R-factor	0.214
Rwork	0.212
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w16
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	XDS (0.52)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.970	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.347	1.701
Rpim	0.236	1.059
Number of reflections	63709
<I/σ(I)>	5.5	1.3
Completeness [%]	98.8	99.5
Redundancy	5.7	6
CC(1/2)	0.965	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	0.350 M ammonium sulphate, 13.5% (w/v) PEG3350, 0.050 M sodium acetate pH 4.0