2NUH

Crystal structure of CutA from the phytopathgen bacterium Xylella fastidiosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.43
Spacegroup name	P 63
Unit cell lengths	70.590, 70.590, 35.502
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.390
R-factor	0.197
Rwork	0.196
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vhf
RMSD bond length	0.011
RMSD bond angle	1.465
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.080	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.085	0.424
Number of reflections	19947
<I/σ(I)>	15.2	3.2
Completeness [%]	97.2	82.7
Redundancy	6.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M Mes Buffer, 1.6M Ammonium sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K