3SGH

Crystal structure of a SusD-like protein (BT_3752) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97944,0.97899
Spacegroup name	P 21 21 2
Unit cell lengths	94.586, 173.545, 59.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.633 - 1.700
R-factor	0.1404
Rwork	0.139
R-free	0.17420
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.633	29.633	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.089	0.029	0.644
Number of reflections	107089	20270	19409
<I/σ(I)>	8.12	24.6	1.5
Completeness [%]	97.1	97.2	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	20.00% polyethylene glycol 6000, 0.20M magnesium chloride, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K