1MZ6

Trypanosoma rangeli sialidase in complex with the inhibitor DANA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE D41A
Synchrotron site	LURE
Beamline	D41A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-27
Detector	MARRESEARCH
Wavelength(s)	1.375
Spacegroup name	P 21 21 21
Unit cell lengths	76.200, 93.800, 105.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.900
R-factor	0.20884
Rwork	0.205
R-free	0.31400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Unliganded T. rangeli sialidase 1MZ5
RMSD bond length	0.019 *
RMSD bond angle	0.063 *
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]	15.000	2.980
High resolution limit [Å]	2.900	2.900
Rmerge	0.138 *	0.306 *
Total number of observations	112960 *
Number of reflections	17063
Completeness [%]	99.9	99.8
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	18 *	PEG-8000, ammonium sulfate, morpholinoethanesulfonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	7 (mg/ml)
2	1	reservoir	PEG8000	17 (%)
3	1	reservoir	ammonium sulfate	100 (mM)
4	1	reservoir	MOPS	50 (mM)	pH6.5