4WK3

Structure of Staphyloccus aureus PstA

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	2014-09-10
Detector	PSI PILATUS 6M
Wavelength(s)	0.99998
Spacegroup name	P 43 3 2
Unit cell lengths	99.320, 99.320, 99.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.417 - 2.600
R-factor	0.2555
Rwork	0.252
R-free	0.29190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m05
RMSD bond length	0.009
RMSD bond angle	1.176
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.200	2.670
High resolution limit [Å]	2.600	2.600
Number of reflections	5565
<I/σ(I)>	33.1	2.5
Completeness [%]	99.9	99.2
Redundancy	36.2	36.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	55% v/v MPD, 0.1 M sodium-acetate pH 4.3, 10 mM calcium chloride