3S9J

Crystal structure of a member of duf4221 family (BVU_1028) from Bacteroides vulgatus atcc 8482 at 1.75 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	2011-04-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97925
Spacegroup name	P 63
Unit cell lengths	113.551, 113.551, 77.697
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.388 - 1.750
R-factor	0.1436
Rwork	0.142
R-free	0.16860
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.475
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.388	28.388	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.078	0.054	0.595
Total number of observations		2707	18603
Number of reflections	57440
<I/σ(I)>	10.5	11.7	1.3
Completeness [%]	99.9	96.7	99.9
Redundancy	4.5	4.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10.00% Glycerol, 3.60M sodium formate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K