6GND

Crystal structure of the complex of a Ferredoxin-Flavin Thioredoxin Reductase and a Thioredoxin from Clostridium acetobutylicum at 2.9 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 1 2 1
Unit cell lengths	115.230, 174.350, 114.304
Unit cell angles	90.00, 119.80, 90.00

Refinement procedure

Resolution	86.742 - 2.889
R-factor	0.2373
Rwork	0.235
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gna
RMSD bond length	0.004
RMSD bond angle	0.664
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_3026: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.742	3.178
High resolution limit [Å]	2.889	2.889
Rmerge	0.064	1.058
Rmeas	0.076	1.253
Number of reflections	27743	1371
<I/σ(I)>	14.1	1.5
Completeness [%]	92.7	75
Redundancy	5.1	6.5
CC(1/2)	0.999	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.02 M DL-glutamic acid monohydrate, 0.02 M DL-alanine, 0.02 M glycine, 0.02 M DL-lysine monohydrochloride, 0.02 M DL-serine, 0.1M imidazole/MES monohydrate pH 6.5, 20 % (v/v) ethylene glycol, 10% (w/v) PEG 8000