2PHZ

Crystal structure of Iron-uptake system-binding protein FeuA from Bacillus subtilis. Northeast Structural Genomics target SR580.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97950, 0.97900, 0.95000
Spacegroup name	P 41 21 2
Unit cell lengths	55.461, 55.461, 177.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.2
Rwork	0.200
R-free	0.23400
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	1.087
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RESOLVE (2.08)
Refinement software	CNS (1.1)

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	0.092	0.055	0.607
Number of reflections	35899
<I/σ(I)>	13.8
Completeness [%]	99.9	99.3	100
Redundancy	9.1	8.8	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1 microliter protein solution plus 1 microliter reservoir solution, 50mM MgNO3, 50mM MES pH 6.5, 27.5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1 microliter protein solution plus 1 microliter reservoir solution, 50mM MgNO3, 50mM MES pH 6.5, 27.5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1 microliter protein solution plus 1 microliter reservoir solution, 50mM MgNO3, 50mM MES pH 6.5, 27.5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 291K