5UVD

Crystal structure of an antigenic nucleotidyltransferase-like protein from Paracoccidioides brasiliensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4587
Spacegroup name	P 21 21 21
Unit cell lengths	33.649, 51.105, 121.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.090 - 1.860
R-factor	0.16216
Rwork	0.159
R-free	0.22168
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	1.878
Data scaling software	XDS (January 10, 2014 BUILT=20140307)
Phasing software	AutoSol (1.8.2)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.090	1.970	1.710
High resolution limit [Å]	1.860	1.860	1.680
Rmerge	0.088	0.409	0.172
Number of reflections	17894	2613	1586
<I/σ(I)>	19.2	4.2	3.7
Completeness [%]	97.9	89.9	68.9
Redundancy	9.5	5.5	1.7
CC(1/2)	0.998	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.25 M MgCl2, 25% PEG 4000, 0.1 M Tris-HCl pH 7.0 - 8,0
2	VAPOR DIFFUSION, HANGING DROP		293.15	0.25 M MgCl2, 25% PEG 4000, 0.1 M Tris-HCl pH 7.0 - 8,0 Crystal was incubated in a cryo-soaking solution containing 100 mM NaI and 10% (v/v) ethylene glycol