3QFA

Crystal structure of the human thioredoxin reductase-thioredoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0068
Spacegroup name	P 21 21 21
Unit cell lengths	97.250, 105.030, 120.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.910 - 2.200
R-factor	0.237
Rwork	0.237
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2j3n and 1aiu
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	70734
<I/σ(I)>	6.73
Completeness [%]	83.8
Redundancy	3.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	297.15	15% PEG 6000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 297.15 K