1O81

Tryparedoxin II from C.fasciculata solved by sulphur phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-15
Detector	MARRESEARCH
Spacegroup name	P 42 21 2
Unit cell lengths	111.700, 111.700, 56.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.500
R-factor	0.20914
Rwork	0.208
R-free	0.22780
Structure solution method	OTHER
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	57687
<I/σ(I)>	37.6	2.1
Completeness [%]	99.7	95.5
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	pH 6.50