7JYP

Structure of thioredoxin reductase from the thermophilic eubacterium Thermosipho africanus TCF52B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	58.150, 58.150, 163.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.119 - 1.600
R-factor	0.2158
Rwork	0.214
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Automated
RMSD bond length	0.007
RMSD bond angle	1.206
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	42842	3980
<I/σ(I)>	11
Completeness [%]	99.2	93.5
Redundancy	9.2
CC(1/2)	0.999	0.170

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		289	0.2 M Ammonium Chloride, 20 % (w/v) PEG 3350, 0.1 M b-Nicotinamide adenine dinucleotide (NAD) hydrate