2X8C

Thioredoxin glutathione reductase from Schistosoma mansoni with the reduced C-terminal end

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	84.492, 87.448, 185.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.760 - 3.100
R-factor	0.21995
Rwork	0.216
R-free	0.29257
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v6o
RMSD bond length	0.009
RMSD bond angle	1.164
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.180
High resolution limit [Å]	3.100	3.100
Rmerge	0.120	0.470
Number of reflections	24223
<I/σ(I)>	11.8	2.6
Completeness [%]	99.3	99.2
Redundancy	7.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	VAPOR DIFFUSION, SITTING DROP, 0.2 M MG-FORMATE, 20% PEG 6000, 0.1 M SODIUM HEPES, PH 7.0-7.5, TEMP 293 K