3JQ0

Crystal structure of SusD superfamily protein (YP_001299712.1) from Bacteroides vulgatus ATCC 8482 at 1.13 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-08
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 65 2 2
Unit cell lengths	75.804, 75.804, 323.966
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.450 - 1.130
R-factor	0.118
Rwork	0.117
R-free	0.13700
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.673
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.450	29.450	1.160
High resolution limit [Å]	1.130	5.050	1.130
Rmerge	0.111	0.078	0.580
Total number of observations		11750	30488
Number of reflections	187091
<I/σ(I)>	9.3	7.4	1.3
Completeness [%]	91.5	98.8	58.1
Redundancy	5	4.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	1.60M (NH4)2SO4, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K