6CL6

Structure of P. aeruginosa R2 pyocin fiber PA0620 comprising C-terminal residues 323-691

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	56.320, 126.946, 432.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.961 - 1.898
R-factor	0.1604
Rwork	0.160
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A SeMet derivative not deposited
RMSD bond length	0.009
RMSD bond angle	0.891
Data reduction software	XDS (September 26, 2012)
Data scaling software	XDS (September 26, 2012)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX ((dev_3042: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.898	1.900
Rmeas	0.130	0.537
Number of reflections	472358	75624
<I/σ(I)>	8.77	2.5
Completeness [%]	99.6	98.3
Redundancy	3.8	3.4
CC(1/2)	0.994	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	3-5% PEG6000, 100 mM Tris-HCl, pH 8.5, 160-210 mM potassium chloride