3IHV

Crystal structure of SusD homolog (NP_813570.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 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	2009-04-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97864,0.97806
Spacegroup name	P 1 21 1
Unit cell lengths	62.908, 72.318, 131.629
Unit cell angles	90.00, 97.31, 90.00

Refinement procedure

Resolution	29.748 - 1.700
R-factor	0.163
Rwork	0.162
R-free	0.19300
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.523
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]	29.748	29.748	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.068	0.027	0.461
Number of reflections	128297	24922	23936
<I/σ(I)>	7.57	19.2	1.8
Completeness [%]	97.4	98	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	277	0.2000M Na2HPO4, 20.0000% PEG-3350, No Buffer pH 9.1, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K