2OE3

Crystal Structure of Mitochondrial Thioredoxin 3 from Saccharomyces cerevisiae (oxidized form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-12-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	49.313, 60.682, 72.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.250 - 1.800
R-factor	0.20053
Rwork	0.198
R-free	0.25519
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eru
RMSD bond length	0.014
RMSD bond angle	1.399
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.250	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.062	0.348
Number of reflections	20479
<I/σ(I)>	9.6	2.1
Completeness [%]	98.2	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	30% PEG 4000, 0.2M Lithium sulfate, 0.1M Tris-Hcl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K