1O6J

Tryparedoxin II from C.fasciculata solved by sulphur phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-15
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	114.200, 114.200, 102.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.350
R-factor	0.20155
Rwork	0.201
R-free	0.21500
Structure solution method	OTHER
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.390
High resolution limit [Å]	2.350	2.700 *
Rmerge	0.058 *	0.299 *
Total number of observations	531442 *
Number of reflections	35567 *
<I/σ(I)>	29.8	9.6
Completeness [%]	100.0 *	100 *
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	277 *	pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	1.4 (M)
2	1	reservoir	sodium HEPES	100 (mM)	pH7.5