3GZS

Crystal structure of a susd superfamily protein (bf3413) from bacteroides fragilis nctc 9343 at 2.10 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	2009-01-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97946, 0.97907
Spacegroup name	P 1 21 1
Unit cell lengths	88.921, 50.377, 117.950
Unit cell angles	90.00, 108.05, 90.00

Refinement procedure

Resolution	29.630 - 2.090
R-factor	0.158
Rwork	0.156
R-free	0.19800
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.630	29.630	2.160
High resolution limit [Å]	2.090	4.490	2.090
Rmerge	0.041	0.017	0.403
Number of reflections	57418	11056	8398
<I/σ(I)>		35.2	2
Completeness [%]	93.2	94.8	77.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.43	293	NANODROP, 25.0% PEG 3000, 0.1M Sodium acetate pH 4.43, VAPOR DIFFUSION, SITTING DROP, temperature 293K