3F8D

Structure of Sulfolobus solfataricus Thioredoxin reductase Mutant C147A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9756
Spacegroup name	P 21 21 21
Unit cell lengths	76.581, 121.874, 126.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.400
R-factor	0.209
Rwork	0.206
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f8p
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.081	0.326
Number of reflections	231790
Completeness [%]	98.9	91.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	12-15% (w/v) poly-ethylene glycol 2000 monomethyl ether, 0.1M (NH4)2SO4, 50mM sodium acetate (pH 4.6), protein 4-9 mg/ml, VAPOR DIFFUSION, temperature 293K