4O1N

Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-11-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	77.900, 70.500, 126.500
Unit cell angles	90.00, 106.20, 90.00

Refinement procedure

Resolution	19.690 - 2.500
R-factor	0.2091
Rwork	0.205
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rdg
RMSD bond length	0.012
RMSD bond angle	1.635
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.477	19.678	2.630
High resolution limit [Å]	2.500	7.900	2.500
Rmerge		0.016	0.393
Rmeas		0.019	0.449
Rpim		0.009	0.215
Total number of observations		5989	28252
Number of reflections	45615
<I/σ(I)>	20.3	63.1	3.9
Completeness [%]	99.4	93.4	98.7
Redundancy	4.3	4.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	6% TACSIMATE pH 6.0, 25% (W/V) PEG 3350 , 0.1M MES pH 6.0, 0.1M NDSB-256, VAPOR DIFFUSION, SITTING DROP, temperature 298K