3PJQ

Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation Tyr342His) in complex with lactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 1 21 1
Unit cell lengths	54.391, 130.217, 54.529
Unit cell angles	90.00, 107.90, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.1892
Rwork	0.186
R-free	0.24670
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.022
RMSD bond angle	1.948
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.778	51.778	2.210
High resolution limit [Å]	1.950	6.640	2.100
Rmerge	0.052	0.032	0.315
Total number of observations		2168	7866
Number of reflections	29944
<I/σ(I)>	12	9.1	2.4
Completeness [%]	71.9	84.9	70.1
Redundancy	1.8	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	microseeding in 10% PEG 4000, 100mM Tris.HCl, 5% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K