2J3N

X-ray structure of human thioredoxin reductase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	144.630, 90.640, 166.600
Unit cell angles	90.00, 112.46, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.249
Rwork	0.249
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6v
RMSD bond length	0.009
RMSD bond angle	1.700
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.970
High resolution limit [Å]	2.800	2.800
Rmerge	0.100	0.380
Number of reflections	97693
<I/σ(I)>	14.1	3.35
Completeness [%]	92.8	79
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1