3D33

Crystal structure of a duf3244 family protein with an immunoglobulin-like beta-sandwich fold (bvu_0276) from bacteroides vulgatus atcc 8482 at 1.70 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	2008-04-11
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	44.562, 55.179, 47.116
Unit cell angles	90.00, 94.31, 90.00

Refinement procedure

Resolution	28.677 - 1.700
R-factor	0.176
Rwork	0.174
R-free	0.22000
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.494
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.677	28.680	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.098	0.063	0.871
Total number of observations		1979	12323
Number of reflections	25116
<I/σ(I)>	4.6	9.4	0.9
Completeness [%]	99.6	97.2	95.7
Redundancy	7.4	6.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	277	0.2000M MgFormate, 20.0000% PEG-3350, No Buffer pH 5.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K