3SD2

Crystal structure of a putative member of duf3244 protein family (BT_3571) from Bacteroides thetaiotaomicron vpi-5482 at 1.40 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)	0.91837,0.97935,0.97898
Spacegroup name	P 32 2 1
Unit cell lengths	46.702, 46.702, 85.161
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.325 - 1.400
R-factor	0.1636
Rwork	0.162
R-free	0.20430
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.666
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]	29.325	29.325	1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.044	0.030	0.545
Number of reflections	21813	4104	4045
<I/σ(I)>	14.97	36.3	2.1
Completeness [%]	99.4	98.9	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	30.00% polyethylene glycol 200, 1.00M lithium sulfate, 0.1M sodium citrate pH 5.6, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K