4GL3

Crystal structure of a putative glucoamylase (BACUNI_03963) from Bacteroides uniformis ATCC 8492 at 2.01 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.9792,0.97883
Spacegroup name	H 3 2
Unit cell lengths	121.568, 121.568, 267.888
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.028 - 2.010
R-factor	0.1427
Rwork	0.141
R-free	0.16990
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.028	29.030	2.080
High resolution limit [Å]	2.010	4.320	2.010
Rmerge	0.108	0.044	0.887
Number of reflections	50890	9865	9570
<I/σ(I)>	8.97	24.1	1.55
Completeness [%]	99.6	99.3	99.4
Redundancy	7.23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	20.0% polyethylene glycol 300, 10.0% Glycerol, 5.0% polyethylene glycol 8000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K