5MAB

FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase

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	2010-09-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.739
Spacegroup name	P 31 2 1
Unit cell lengths	112.770, 112.770, 143.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.662 - 2.436
R-factor	0.1686
Rwork	0.169
R-free	0.16860
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.700	2.540
High resolution limit [Å]	2.430	2.430
Rmerge	0.136	0.707
Number of reflections	38579
<I/σ(I)>	28.3	1.9
Completeness [%]	96.1	77.1
Redundancy	32.3	6.3
CC(1/2)		0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	VAPOR DIFFUSION AT 293 K IN SITTING DROPS OF 1 MICRO-L OF PROTEIN SOLUTION (15 MG/ML OF FOXE IN 5 MM POTASSIUM PHOSPHATE BUFFER PH 7.0) PLUS 1 MICRO-L OF PRECIPITANT SOLUTION (1.2 M SODIUM/POTASSIUM PHOSPHATE PH 7.5, 50 MM COPPER CHLORIDE) EQUILIBRATED AGAINST 500 ML OF PRECIPITANT SOLUTION IN THE WELL