3MCX

Crystal structure of SusD superfamily protein (BT_2365) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.49 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	2009-12-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97932,0.97886
Spacegroup name	C 2 2 21
Unit cell lengths	107.161, 147.472, 73.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.897 - 1.490
R-factor	0.143
Rwork	0.142
R-free	0.16100
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.533
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]	28.897	28.897	1.540
High resolution limit [Å]	1.490	3.210	1.490
Rmerge	0.067	0.025	0.577
Number of reflections	94843	18385	17295
<I/σ(I)>	14.41	45.6	2.3
Completeness [%]	99.8	99.8	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	2.0000% 2-propanol, 0.2000M zinc acetate, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K