4PR3

Crystal structure of Brucella melitensis 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-04
Detector	RAYONIX MX225HE
Wavelength(s)	0.9791
Spacegroup name	P 65 2 2
Unit cell lengths	97.326, 97.326, 175.111
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.377 - 2.606
R-factor	0.2262
Rwork	0.222
R-free	0.26240
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.987
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	15654
Completeness [%]	100.0	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	20%(w/v) PEG-1000, 0.1M phosphate-citrate (pH 4.2), 0.2M Li2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K