3IBY

Structure of cytosolic domain of L. pneumophila FeoB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.75
Spacegroup name	P 21 21 21
Unit cell lengths	53.056, 130.697, 157.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.810 - 2.500
R-factor	0.21621
Rwork	0.212
R-free	0.28770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.655
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.810	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.081	0.481
Number of reflections	36133
Completeness [%]	93.2	68.1
Redundancy	3.7	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	25% tacsimate, 10% poly-L-lysine, 50 mM Hepes pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 285K