4Y5T

Structure of FtmOx1 apo with metal Iron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	60.445, 45.561, 105.409
Unit cell angles	90.00, 99.74, 90.00

Refinement procedure

Resolution	42.910 - 1.949
R-factor	0.1663
Rwork	0.164
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.986
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.914	2.019
High resolution limit [Å]	1.949	1.949
Rmerge		0.725
Number of reflections	41734
<I/σ(I)>	18.328	2.017
Completeness [%]	99.9	99.22
Redundancy	6.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	100 mM MES pH6.5, 50 mM CoCl2, and 2 M of ammonium sulfate