1MR5

Orthorhombic form of Trypanosoma cruzi trans-sialidase

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	2001-05-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 21 21 2
Unit cell lengths	87.029, 88.021, 89.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 * - 2.250
R-factor	0.22104
Rwork	0.218
R-free	0.27400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id 1MZ5
RMSD bond length	0.021
RMSD bond angle	1.960 *
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]	30.000	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.059 *	0.228 *
Number of reflections	33232
Completeness [%]	99.7	99.4
Redundancy	3.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	291	PEG 4000, TrisHCl, 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 (%)