3EJN

CRYSTAL STRUCTURE OF A SUSD HOMOLOG (BF3025) FROM BACTEROIDES FRAGILIS NCTC 9343 AT 1.50 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97876,0.97822
Spacegroup name	H 3
Unit cell lengths	166.990, 166.990, 48.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.074 - 1.500
R-factor	0.155
Rwork	0.154
R-free	0.16800
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.786
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.074	29.074	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.025	0.012	0.320
Number of reflections	81072	15895	13253
<I/σ(I)>	17.05	51.5	2.2
Completeness [%]	95.6	97.4	86.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M magnesium formate, 18.5% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K