2H7W

Crystal structure of Chagasin, the endogenous cysteine-protease inhibitor from Trypanosoma cruzi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-17
Detector	MAR CCD 165 mm
Wavelength(s)	1.427
Spacegroup name	P 31 1 2
Unit cell lengths	48.779, 48.779, 183.602
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.175 - 1.700
R-factor	0.20706
Rwork	0.205
R-free	0.23776
Structure solution method	SIRAS
RMSD bond length	0.012
RMSD bond angle	1.468
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.175	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	28099
<I/σ(I)>	22.5	4.7
Completeness [%]	99.9	100
Redundancy	9.7	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	protein: 15 mg/ml in 10 mM tris-Hcl, pH 7.4, 0.1 M sodium chloride. reservoir: 15% PEG 8000, 0.1M ammonium sulphate, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K