4NZJ

Crystal structure of a putative alpha-galactosidase (BF1418) from Bacteroides fragilis NCTC 9343 at 1.57 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)	0.918401,0.979261,0.979152
Spacegroup name	P 42 21 2
Unit cell lengths	114.614, 114.614, 77.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.386 - 1.570
R-factor	0.1549
Rwork	0.154
R-free	0.16850
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.099
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.386		1.630
High resolution limit [Å]	1.570	3.380	1.570
Rmerge	0.076	0.044	0.947
Number of reflections	71815	13734	13878
<I/σ(I)>	9.28	23.9	1.5
Completeness [%]	99.1	99.3	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.16M magnesium acetate, 20.0% Glycerol, 16.0% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K