3ENN

2.1A crystal structure of glucose/ribitol dehydrogenase from brucella melitensis (p43212)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-23
Detector	SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	119.500, 119.500, 136.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 2.100
R-factor	0.19
Rwork	0.188
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.369
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.100	0.068	0.481
Number of reflections	57871	669	4231
<I/σ(I)>		34.3	6.2
Completeness [%]	99.8	88	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	289	45% MPD, 0.1M TRIS pH 8.5, 0.2M AMMONIUM ACETATE, VAPOR DIFFUSION, temperature 289K