3SNX

Crystal structure of a PUTATIVE SUSD-LIKE CARBOHYDRATE BINDING PROTEIN (BT_1439) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.88 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	2010-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97932,0.97913
Spacegroup name	P 1 21 1
Unit cell lengths	64.112, 114.452, 67.663
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	46.545 - 1.880
R-factor	0.175
Rwork	0.173
R-free	0.20730
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.545		1.950
High resolution limit [Å]	1.880	4.040	1.880
Rmerge	0.103	0.044	0.746
Number of reflections	77723	8026	7665
<I/σ(I)>	9.61	24.7	1.9
Completeness [%]	98.2	99.1	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	40.0% polyethylene glycol 600, 0.1M CHES pH 9.5, Additive: 0.005 M maltotriose, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K