5KSS

Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-Ds (Dimer Smaller)

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	2009-08-12
Detector	MAR CCD 165 mm
Wavelength(s)	1.437
Spacegroup name	C 1 2 1
Unit cell lengths	86.941, 80.118, 71.511
Unit cell angles	90.00, 95.51, 90.00

Refinement procedure

Resolution	43.944 - 2.820
R-factor	0.2745
Rwork	0.272
R-free	0.32860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ty2
RMSD bond length	0.002
RMSD bond angle	0.519
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.944	2.900
High resolution limit [Å]	2.820	2.820
Rmerge	0.112	0.504
Number of reflections	9802
<I/σ(I)>	8.67	3.25
Completeness [%]	88.5	82.5
Redundancy	3.73	2.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M bis-tris propane pH 7.6, 0.13 M Sodium iodide, 16% (W/V) PEG 3350, 5 mM dithiotheitol and 0.5 manganese II chloride.