2H6X

Crystal Structure of Thioredoxin Wild Type in Hexagonal (p61) Space Group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-28
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	102.727, 102.727, 42.865
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.500 - 2.600
R-factor	0.222
Rwork	0.219
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2trx
RMSD bond length	0.014
RMSD bond angle	1.427
Data reduction software	PROTEUM PLUS (2)
Data scaling software	SAINT
Phasing software	AMoRE
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.360	2.650
High resolution limit [Å]	2.600	2.600
Number of reflections	8147
<I/σ(I)>	9.08	2.63
Completeness [%]	99.8	100
Redundancy	7.28	7.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	3.5	277	60% (v/v) MPD, Ac2Cu 1mM, AcNa 15mM, HEPES 15 mM pH 6.9, pH 3.5, Counterdiffusion, temperature 277K