4FUR

Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-05
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	83.510, 145.010, 137.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.1527
Rwork	0.151
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2kau
RMSD bond length	0.011
RMSD bond angle	1.444
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.087	0.030	0.354
Number of reflections	48192	593	3219
<I/σ(I)>	14.8	44.37	4.37
Completeness [%]	98.6	95.3	90.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	Morpheus B2: 0.1 M Imidazole/MES pH 6.50, 0.09 M sodium fluoride, 0.09 M sodium bromide, 0.09 M sodium iodide, 30% ethylene glycol, 30% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K