4QPV

Crystal structure of a DUF1672 family protein (SAV1486) from Staphylococcus aureus subsp. aureus Mu50 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9783,0.97898
Spacegroup name	P 21 21 21
Unit cell lengths	58.545, 107.570, 112.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.513 - 1.800
R-factor	0.1847
Rwork	0.183
R-free	0.21470
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.513	29.513	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.040	0.010	0.010
Number of reflections	65849	12436	11054
<I/σ(I)>	15.53	51.4	1.1
Completeness [%]	97.2	96.5	92.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	23.136% polyethylene glycol 4000, 0.170M ammonium acetate, 15.00% Glycerol, 4.00% (+)-1,3 Butanediol, 0.1M sodium acetate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K