1GXF

CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH THE INHIBITOR QUINACRINE MUSTARD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	93.100, 93.100, 156.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.000 - 2.700
Rwork	0.190
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tyt
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000	2.900
High resolution limit [Å]	2.700	2.700
Rmerge	0.080	0.340
Number of reflections	29073
<I/σ(I)>	9.4	2.6
Completeness [%]	79.0	82
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		MALEIC BUFFER, PEG 4000, pH 6.00