3CMG

Crystal structure of putative beta-galactosidase from Bacteroides fragilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	79.651, 102.878, 199.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.840 - 1.900
R-factor	0.15
Rwork	0.148
R-free	0.18600
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.376
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.088	0.423
Number of reflections	124005
<I/σ(I)>	5.6	2.4
Completeness [%]	99.5	96.3
Redundancy	5.1	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1M Tris-HCl pH 8.5, 50% MPD, 0.22M Ammonium dihydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1M Tris-HCl pH 8.5, 50% MPD, 0.22M Ammonium dihydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1M Tris-HCl pH 8.5, 50% MPD, 0.22M Ammonium dihydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 298K