3RH3

Crystal structure of an Uncharacterized DUF3829-like protein (BT_1908) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 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	2011-03-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	64.409, 50.547, 87.943
Unit cell angles	90.00, 107.41, 90.00

Refinement procedure

Resolution	29.324 - 2.100
R-factor	0.2137
Rwork	0.212
R-free	0.24390
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.324		2.190
High resolution limit [Å]	2.100	4.530	2.110
Rmerge	0.063	0.034	0.404
Number of reflections	31006	5892	5962
<I/σ(I)>	7.24	15.6	2.2
Completeness [%]	93.7	93	91.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20.0% polyethylene glycol 3350 0.2M ammonium chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K