5MVO

FoxE P43212 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	116.850, 116.850, 191.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.847 - 2.668
R-factor	0.1738
Rwork	0.174
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mab
RMSD bond length	0.012
RMSD bond angle	1.414
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.850	2.770
High resolution limit [Å]	2.670	2.670
Rmerge		0.784
Number of reflections	38130
<I/σ(I)>	19.1	2.78
Completeness [%]	99.2	99.8
Redundancy	11.4	10.2
CC(1/2)	0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	Vapor diffusion at 277 K in siting 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 (1.3 M sodium/potassium phosphate pH 7.5, 50 mM copper chloride) equilibrated against 500 ml of precipitant solution in the well.