3TC9

Crystal structure of an auxiliary nutrient binding protein (BT_3476) from Bacteroides thetaiotaomicron VPI-5482 at 2.23 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	2011-06-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97932,0.97913
Spacegroup name	C 1 2 1
Unit cell lengths	239.670, 51.250, 75.990
Unit cell angles	90.00, 93.61, 90.00

Refinement procedure

Resolution	29.899 - 2.230
R-factor	0.1632
Rwork	0.161
R-free	0.20550
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.090
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]	29.899	29.899	2.310
High resolution limit [Å]	2.230	4.780	2.230
Rmerge	0.065	0.025	0.526
Number of reflections	45197	8651	8551
<I/σ(I)>	8.31	23.4	1.4
Completeness [%]	97.7	96.6	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.00% polyethylene glycol 3350, 0.20M sodium dihydrogen phosphate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K