3MWX

Crystal structure of a putative galactose mutarotase (BSU18360) from BACILLUS SUBTILIS at 1.45 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-13
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	47.686, 119.093, 144.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.773 - 1.450
R-factor	0.149
Rwork	0.148
R-free	0.16700
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.548
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.773	29.773	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.078	0.022	0.747
Number of reflections	143533	27940	25773
<I/σ(I)>	11.02	38.5	1.6
Completeness [%]	97.0	98.4	94.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.86	277	0.1700M ammonium acetate, 22.3000% polyethylene glycol 4000, 15.0000% Glycerol, 0.1M citric acid pH 5.86, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K