4FXT

Crystal structure of a DUF3823 family protein (BACOVA_02663) from Bacteroides ovatus ATCC 8483 at 2.77 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	2012-05-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9792,0.91162,0.97901
Spacegroup name	P 1 21 1
Unit cell lengths	52.810, 351.002, 90.343
Unit cell angles	90.00, 93.42, 90.00

Refinement procedure

Resolution	49.079 - 2.770
R-factor	0.1845
Rwork	0.183
R-free	0.21740
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.079	49.079	2.870
High resolution limit [Å]	2.770	5.920	2.770
Rmerge	0.106	0.011	0.011
Number of reflections	82740	8509	8246
<I/σ(I)>	10.91	27.8	1.7
Completeness [%]	99.8	99.4	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.200M sodium formate, 20.00% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K