3ELG

Crystal structure of a putative periplasmic protein of unknown function (bvu_2443) from bacteroides vulgatus atcc 8482 at 1.64 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-07
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	40.242, 73.507, 53.544
Unit cell angles	90.00, 108.36, 90.00

Refinement procedure

Resolution	29.775 - 1.640
R-factor	0.174
Rwork	0.172
R-free	0.20900
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.506
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.775	29.800	1.680
High resolution limit [Å]	1.640	7.330	1.640
Rmerge	0.094	0.056	0.865
Total number of observations		3014	10044
Number of reflections	35714
<I/σ(I)>	5.959	11.7	0.9
Completeness [%]	98.4	97.9	97.2
Redundancy	7.3	7.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	23.8% polyethylene glycol 3000, 0.1M citric acid pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K