4OGZ

Crystal structure of a putative alpha-galactosidase/melibiase (BF4189) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401,0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	50.955, 170.874, 52.619
Unit cell angles	90.00, 106.71, 90.00

Refinement procedure

Resolution	56.958 - 2.000
R-factor	0.1708
Rwork	0.169
R-free	0.20060
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.543
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.958	56.958	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge		0.012	0.012
Total number of observations		2464	15996
Number of reflections	57998
<I/σ(I)>	4.1	4.3	0.4
Completeness [%]	100.0	99.8	100
Redundancy	3.7	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	50.0% polyethylene glycol 200, 0.2M sodium chloride, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K