6GNA

Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97926
Spacegroup name	C 1 2 1
Unit cell lengths	83.221, 40.942, 81.093
Unit cell angles	90.00, 103.76, 90.00

Refinement procedure

Resolution	40.417 - 1.295
R-factor	0.1766
Rwork	0.175
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j60
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2666: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.420	1.341
High resolution limit [Å]	1.295	1.295
Rmerge	0.043	1.804
Rmeas	0.046	1.957
Number of reflections	64697	6246
<I/σ(I)>	16.88	1.04
Completeness [%]	97.6	94.93
Redundancy	6.7	6.6
CC(1/2)	0.999	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M sodium chloride, 0.1 M sodium acetate pH 4.5, 40% (v/v) PEG 300