1MS9

Triclinic form of Trypanosoma cruzi trans-sialidase, 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]	110
Detector technology	CCD
Collection date	2001-05-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 1
Unit cell lengths	51.046, 74.204, 87.496
Unit cell angles	86.02, 84.17, 88.31

Refinement procedure

Resolution	20.000 - 1.580
R-factor	0.1664
Rwork	0.163
R-free	0.19800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id 1MZ5
RMSD bond length	0.021
RMSD bond angle	1.850 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.400	1.670
High resolution limit [Å]	1.580	1.580
Rmerge	0.038 *	0.125 *
Number of reflections	163610
Completeness [%]	94.3	82.8
Redundancy	2.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	291	PEG4000, Tris.HCl, Isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	18 (mg/ml)
2	1	1	PEG4000	10 (%)
3	1	1	Tris-HCl	100 (mM)	pH7.5
4	1	1	isopropanol	5 (%)