5FRT

Structure of the FeSII (shethna) protein of Azotobacter vinelandii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625, 1.73487
Spacegroup name	P 21 21 2
Unit cell lengths	133.560, 134.530, 36.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.265 - 2.340
R-factor	0.2188
Rwork	0.217
R-free	0.25170
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.205
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (AUTOSOL)
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.260	2.400
High resolution limit [Å]	2.340	2.340
Rmerge	0.070	0.990
Number of reflections	28854
<I/σ(I)>	15.3	1.4
Completeness [%]	99.8	98.3
Redundancy	6.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		0.1M NA HEPES PH 8.0, 0.2 M NA CITRATE, 24% W/V PEG 3350.