2FHR

Trypanosoma Rangeli Sialidase In Complex With 2,3- Difluorosialic Acid (Covalent Intermediate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-02
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	74.873, 95.007, 110.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 2.200
R-factor	0.164
Rwork	0.160
R-free	0.23200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.021
RMSD bond angle	1.841
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.170	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.067	0.340
Number of reflections	36222
<I/σ(I)>	9.4	2
Completeness [%]	89.8	90.8
Redundancy	2.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	291	PEG 8000, AMMONIUM SULFATE, SODIUM CACODYLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 6.50