4LB8

Crystal structure of a DUF4848 family protein (BT3222) from Bacteroides thetaiotaomicron VPI-5482 at 2.49 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	PIXEL
Collection date	2013-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91162,0.9786,0.97805
Spacegroup name	C 2 2 21
Unit cell lengths	64.595, 140.829, 89.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.357 - 2.490
R-factor	0.1826
Rwork	0.180
R-free	0.22820
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SOLVE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.357	29.357	2.580
High resolution limit [Å]	2.490	5.330	2.490
Rmerge	0.067	0.029	0.634
Number of reflections	14384	2686	2622
<I/σ(I)>	8.96	22.5	1.2
Completeness [%]	95.2	94.4	94

Crystallization Conditions

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