4H0A

Crystal structure of a cysteine-rich secretory protein (SAV1118) from Staphylococcus aureus subsp. aureus Mu50 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9464,0.9795,0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	56.386, 78.189, 77.161
Unit cell angles	90.00, 94.32, 90.00

Refinement procedure

Resolution	29.181 - 1.900
R-factor	0.1945
Rwork	0.193
R-free	0.22090
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.181	29.181	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.036	0.019	0.643
Number of reflections	52080	9843	10028
<I/σ(I)>	11.38	33.6	1.7
Completeness [%]	96.3	94	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	1.00M LiCl, 10.00% PEG-6000, 0.1M Citrate pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K