2VK7

THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	69.600, 97.400, 72.600
Unit cell angles	90.00, 91.00, 90.00

Refinement procedure

Resolution	20.000 - 1.200
R-factor	0.132
Rwork	0.131
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.655
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.500	1.270
High resolution limit [Å]	1.200	1.200
Rmerge	0.040	0.300
Number of reflections	278102
<I/σ(I)>	11.7	3.2
Completeness [%]	92.0	85
Redundancy	2.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1