5KST

Stationary phase Survival protein E (SurE) from Xylella fastidiosa- XfSurE-TSAmp (Tetramer Smaller - crystallization with 3'AMP).

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	CCD
Collection date	2008-07-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.428
Spacegroup name	C 1 2 1
Unit cell lengths	157.001, 78.209, 82.158
Unit cell angles	90.00, 96.74, 90.00

Refinement procedure

Resolution	77.957 - 2.759
R-factor	0.1991
Rwork	0.197
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ty2
RMSD bond length	0.005
RMSD bond angle	0.820
Data reduction software	XDS (30/03/2013)
Data scaling software	XSCALE (30/03/2013)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.957	2.840
High resolution limit [Å]	2.760	2.760
Rmerge		0.574
Number of reflections	24993
<I/σ(I)>	16.58	3.4
Completeness [%]	97.4	92.1
Redundancy	5.47	5.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	0.1 M bis-tris propane pH 7.6, 0.14 M Sodium iodide, 20% (W/V) PEG 3350, 5 mM dithiotheitol and 0.1 manganese II chloride.