3SEE

Crystal structure of a putative sugar binding protein (BT_4411) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 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	2011-05-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97944,0.97901
Spacegroup name	P 43 2 2
Unit cell lengths	50.473, 50.473, 228.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.558 - 1.250
R-factor	0.1307
Rwork	0.130
R-free	0.14880
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.534
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]	28.558	28.558	1.290
High resolution limit [Å]	1.250	2.690	1.250
Rmerge	0.071	0.027	0.708
Number of reflections	83306	15731	13793
<I/σ(I)>	13.41	44.3	2.1
Completeness [%]	99.8	99.9	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	40.00% polyethylene glycol 600, 0.10M sodium chloride, 0.1M sodium citrate pH 5.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K