3HDX

Crystal structure of SusD superfamily protein (NP_809182.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.50 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	2009-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97932,0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	56.221, 56.221, 301.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.235 - 1.500
R-factor	0.136
Rwork	0.134
R-free	0.16000
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.537
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.235	29.240	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.106	0.046	0.814
Total number of observations		6476	34200
Number of reflections	79386
<I/σ(I)>	5.33	11.9	0.9
Completeness [%]	100.0	98.8	99.9
Redundancy	7.1	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	277	0.2000M MgAcetate, 20.0000% PEG-3350, No Buffer pH 7.7, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K