6GNC

Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.64 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	2017-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 2
Unit cell lengths	80.805, 175.784, 67.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.340 - 1.639
R-factor	0.1832
Rwork	0.182
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gna
RMSD bond length	0.009
RMSD bond angle	1.363
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.340	1.698
High resolution limit [Å]	1.639	1.639
Rmerge	0.035	0.964
Rmeas	0.037	1.002
Number of reflections	58960	5784
<I/σ(I)>	34.62	2.95
Completeness [%]	99.9	99.52
Redundancy	13.3	13.4
CC(1/2)	1.000	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M calcium chloride, 0.1 M HEPES pH 7.5, 28% (v/v) PEG 400