5KSQ

Stationary phase survival protein E (SurE) from Xylella fastidiosa

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)	1.437
Spacegroup name	C 1 2 1
Unit cell lengths	91.984, 85.160, 76.603
Unit cell angles	90.00, 94.46, 90.00

Refinement procedure

Resolution	42.580 - 2.630
R-factor	0.2208
Rwork	0.218
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ty2
RMSD bond length	0.002
RMSD bond angle	0.519
Data scaling software	XDS (30/03/2013)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.580	2.710
High resolution limit [Å]	2.630	2.630
Number of reflections	17166
<I/σ(I)>	19.05
Completeness [%]	97.4	96.7
Redundancy	7.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-tris propane pH 7.6, 0.14 M sodium iodide, 20% (W/V) PEG 3350, 5 mM dihiothreitol and 0.1 M magnesium chloride.