1N1Y

Trypanosoma rangeli sialidase in complex with sialic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.931
Spacegroup name	P 21 21 21
Unit cell lengths	76.833, 95.639, 109.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.23692
Rwork	0.235
R-free	0.26900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n1s
RMSD bond length	0.015 *
RMSD bond angle	1.669 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.098 *	0.267 *
Total number of observations	68000 *
Number of reflections	18969
Completeness [%]	92.6	83.5
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	PEG-8000, sodium cacodylate, ammonium sulfate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium phosphate	20 (mM)
3	1	drop	sodium acetate	30 (mM)	pH7.0
4	1	reservoir	PEG8000	16 (%(w/w))
5	1	reservoir	sodium cacodylate	50 (mM)
6	1	reservoir	ammonium sulfate	100 (mM)	pH6.5