8XFU

DUF3055 from Staphylococcus aureus adopts unique strategy for structural distinctiveness

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.99
Spacegroup name	P 65 2 2
Unit cell lengths	105.658, 105.658, 451.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.850 - 3.610
R-factor	0.21508
Rwork	0.213
R-free	0.26167
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.715
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.850	3.660
High resolution limit [Å]	3.600	3.600
Rmerge	0.190
Number of reflections	17719	894
<I/σ(I)>	15.55
Completeness [%]	96.4
Redundancy	4.6
CC(1/2)	0.990	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1M (NH4)2SO4, 1%(w/v) PEG3350, 100 mM Bis-Tris pH 5.5