4RFB

1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97875
Spacegroup name	P 21 21 21
Unit cell lengths	42.640, 108.199, 167.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.830 - 1.930
R-factor	0.17106
Rwork	0.169
R-free	0.21829
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v05
RMSD bond length	0.011
RMSD bond angle	1.637
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.074	0.552
Number of reflections	61498
<I/σ(I)>	19.3	3
Completeness [%]	99.7	100
Redundancy	4.9	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	Protein: 7.4mG/mL, 0.25M Sodium chloride, 0.01M Tris-HCl (pH 8.3); Screen: PEGsII (F12), 0.8M Lithium chloride, 0.1M Tris (pH 8.5), 32% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K