5FFI

[2Fe:2S] ferredoxin FeSII from Azotobacter vinelandii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0003
Spacegroup name	P 21 21 2
Unit cell lengths	133.271, 134.480, 36.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.660 - 2.170
R-factor	0.1967
Rwork	0.195
R-free	0.22930
RMSD bond length	0.009
RMSD bond angle	1.120
Data reduction software	autoPROC
Data scaling software	Aimless ((version 0.5.12))
Phasing software	autoSHARP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.660	2.177
High resolution limit [Å]	2.169	2.169
Rmerge	0.149	1.380
Number of reflections	36128
<I/σ(I)>	13.2	2.2
Completeness [%]	100.0	100
Redundancy	13.2	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	1 M of tri-sodium citrate 0.01 M sodium tetraborate (Na2B4O7)