7M1O

Hydrogenobacter thermophilus ferredoxin 1 S64A variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-22
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	39.635, 69.103, 95.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.624 - 1.984
R-factor	0.189498381145
Rwork	0.186
R-free	0.21894
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iqz
RMSD bond length	0.005
RMSD bond angle	1.125
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.230	2.060
High resolution limit [Å]	1.980	1.980
Number of reflections	17128	1338
<I/σ(I)>	6
Completeness [%]	97.3
Redundancy	2.7
CC(1/2)	0.991	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	80% saturated ammonium sulfate, 0.1 M MES (pH 6.5)