3E19

Crystal Structure of Iron Uptake Regulatory Protein (FeoA) Solved by Sulfur SAD in a Monoclinic Space Group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	298
Detector technology	CCD
Collection date	2007-12-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.9
Spacegroup name	C 1 2 1
Unit cell lengths	93.786, 68.386, 68.969
Unit cell angles	90.00, 132.67, 90.00

Refinement procedure

Resolution	19.340 - 2.000
R-factor	0.17576
Rwork	0.173
R-free	0.22789
Structure solution method	SAD
Starting model (for MR)	ab initio
RMSD bond length	0.019
RMSD bond angle	1.864
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.048	0.040	0.104
Number of reflections	20216
Completeness [%]	92.7	98.2	86.7
Redundancy	22.5	22.5	19.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Sodium Phosphate, Potassium Phosphate, pH 7.5, vapor diffusion, sitting drop, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Sodium Phosphate, Potassium Phosphate, pH 7.5, vapor diffusion, sitting drop, temperature 298K