3F3Q

Crystal structure of the oxidised form of thioredoxin 1 from saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	32.292, 46.588, 64.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.850 - 1.760
R-factor	0.1999
Rwork	0.198
R-free	0.24547
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fa4
RMSD bond length	0.016
RMSD bond angle	1.551
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.706	1.830
High resolution limit [Å]	1.700	1.760
Rmerge	0.041	0.040
Number of reflections	10873
<I/σ(I)>	11.9	2.7
Completeness [%]	97.4	96.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	4% PEG400, 12%PEG8000, 0.1M sodium acetate, 0.2M zinc acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K