3UOR

The structure of the sugar-binding protein MalE from the phytopathogen Xanthomonas citri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00662
Spacegroup name	P 65 2 2
Unit cell lengths	122.971, 122.971, 304.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.818 - 2.202
R-factor	0.191
Rwork	0.189
R-free	0.22820
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.078
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.059
Number of reflections	68944
Completeness [%]	99.0
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M Tris HCl pH 8.0, 3.5 M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
2	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M Tris HCl pH 8.0; 3.5 M Sodium Formate; heavy atom soaking with 1 mM mersalyl acid, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K