4QHX

Crystal structure of a putative two-domain sugar hydrolase (BACCAC_02064) from Bacteroides caccae ATCC 43185 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97934,0.95369,0.97913
Spacegroup name	H 3
Unit cell lengths	110.042, 110.042, 105.557
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.643 - 1.800
R-factor	0.1507
Rwork	0.149
R-free	0.17890
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.525
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.643		1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.052	0.026	0.503
Number of reflections	43818	8577	7742
<I/σ(I)>	9.27	23.4	1.6
Completeness [%]	96.5	96.1	91.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.16M ammonium sulfate, 20.0% Glycerol, 20.0% polyethylene glycol 4000, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K