2X5P

Crystal structure of the Streptococcus pyogenes fibronectin binding protein Fbab-B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-17
Detector	ADSC QUANTUM 315r
Spacegroup name	P 61
Unit cell lengths	57.220, 57.220, 64.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.060 - 1.600
R-factor	0.138
Rwork	0.136
R-free	0.17000
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCDE (SOLVE RESOLVE)
Refinement software	REFMAC (5.6.0081)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	1.640	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.060	0.430
Number of reflections	15019
<I/σ(I)>	22	3.4
Completeness [%]	98.2	96.7
Redundancy	2.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		2.47 - 2.52M AMMONIUM SULFATE, 0.26M MAGNESIUM ACETATE OR 0.21M MAGNESIUM CHLORIDE, 0.1M BICINE PH 8.5 - 9.5. CRYSTAL WAS CRYOPROTECTED DIRECTLY IN THIS SOLUTION SUPPLEMENTED WITH 25% GLYCEROL.