1N1S

Trypanosoma rangeli sialidase

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	2000-06-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.931
Spacegroup name	P 21 21 21
Unit cell lengths	76.020, 93.970, 105.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.640
R-factor	0.17406
Rwork	0.173
R-free	0.19300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mz5
RMSD bond length	0.007
RMSD bond angle	1.314
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 *	1.740
High resolution limit [Å]	1.640	1.640
Rmerge	0.047 *	0.405 *
Total number of observations	413311 *
Number of reflections	85308
Completeness [%]	89.5	52.5
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

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG-8000
2	1	1	sodium cacodylate
3	1	1	ammonium sulfate
4	1	2	ammonium sulfate
5	1	2	PEG-8000

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