4LA1

Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9707
Spacegroup name	P 21 21 21
Unit cell lengths	84.185, 86.470, 183.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.235 - 2.348
R-factor	0.1735
Rwork	0.171
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v6o
RMSD bond length	0.007
RMSD bond angle	1.059
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.235	2.390
High resolution limit [Å]	2.348	2.350
Number of reflections	56540
Completeness [%]	93.7	99
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	8% tacsimate pH 6.0, 20% PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K