3SY6

Crystal structure of a fimbrial protein BF1861 [Bacteroides fragilis NCTC 9343] (BF1861) from Bacteroides fragilis NCTC 9343 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97932,0.97907
Spacegroup name	P 1 21 1
Unit cell lengths	40.409, 120.462, 53.492
Unit cell angles	90.00, 90.93, 90.00

Refinement procedure

Resolution	28.598 - 1.900
R-factor	0.1706
Rwork	0.169
R-free	0.21080
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.598	28.598	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.077	0.030	0.614
Number of reflections	39169	7613	7724
<I/σ(I)>	7.38	20.9	1.6
Completeness [%]	95.7	94.5	94.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	30.00% polyethylene glycol 3000, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K