3JQ1

Crystal structure of SusD superfamily protein (YP_001297730.1) from Bacteroides vulgatus ATCC 8482 at 1.55 A resolution

Experimental procedure

Experimental method	MAD
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
Wavelength(s)	0.91162,0.97956,0.97938
Spacegroup name	P 21 21 21
Unit cell lengths	65.650, 94.690, 165.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.488 - 1.550
R-factor	0.174
Rwork	0.172
R-free	0.20900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.527
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]	29.488	29.490	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.105	0.046	0.693
Total number of observations		6282	38777
Number of reflections	146647
<I/σ(I)>	8.7	12.3	1.1
Completeness [%]	98.1	97.9	99.4
Redundancy	3.6	3.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	277	0.2000M CaCl2, 20.0000% PEG-3350, No Buffer pH 5.1, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K