3MX3

Crystal structure of a SusD homolog (BF0972) from Bacteroides fragilis NCTC 9343 at 2.00 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	2010-01-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,0.97913
Spacegroup name	C 1 2 1
Unit cell lengths	153.350, 87.876, 78.253
Unit cell angles	90.00, 116.66, 90.00

Refinement procedure

Resolution	29.182 - 2.000
R-factor	0.167
Rwork	0.164
R-free	0.21600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.476
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.182	29.182	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.096	0.035	0.350
Number of reflections	61624	11903	11175
<I/σ(I)>	6.35	14.5	1.9
Completeness [%]	95.4	95.3	92.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2000M magnesium chloride, 30.0000% polyethylene glycol 4000, 0.1M TRIS pH 8.5, Additive: 0.001 M glucose, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K