3EU8

Crystal structure of putative glucoamylase (YP_210071.1) from Bacteroides fragilis NCTC 9343 at 2.12 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	2008-08-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97929,0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	58.180, 71.760, 221.790
Unit cell angles	90.00, 92.30, 90.00

Refinement procedure

Resolution	29.591 - 2.120
R-factor	0.161
Rwork	0.158
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.396
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]	29.591	29.591	2.200
High resolution limit [Å]	2.120	4.550	2.120
Rmerge	0.090	0.037	0.409
Number of reflections	102011	19663	18064
<I/σ(I)>	5.54	13.4	1.5
Completeness [%]	90.7	95.6	84.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	15.8% polyethylene glycol 3350, 0.1M potassium fluoride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K