6FG4

Crystal Structure of the Amyloid-like IIKVIK Segment from the S. aureus Biofilm-associated PSMalpha1

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	PIXEL
Collection date	2014-10-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8729
Spacegroup name	C 1 2 1
Unit cell lengths	45.270, 4.800, 22.900
Unit cell angles	90.00, 107.65, 90.00

Refinement procedure

Resolution	18.380 - 1.100
R-factor	0.1629
Rwork	0.159
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ideal poly-ala beta-strand
RMSD bond length	0.010
RMSD bond angle	1.973
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.380	18.380	1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmerge	0.133	0.070	0.752
Rmeas	0.140	0.075	0.824
Number of reflections	2070	30	136
<I/σ(I)>	10.13	25.76	2.14
Completeness [%]	93.9	93.8	80
Redundancy	11.161	8.5	6.441
CC(1/2)	0.998	1.000	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir contained 15% Polyethylene glycol 8,000: 0.5M Lithium sulfate