5WC6

Structure of a bacterial polysialyltransferase at 2.2 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-16
Detector	RAYONIX MX300HE
Wavelength(s)	1.07252
Spacegroup name	P 31 2 1
Unit cell lengths	78.255, 78.255, 301.995
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.670 - 2.200
R-factor	0.195
Rwork	0.194
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.670	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.766
Number of reflections	55737
<I/σ(I)>	22
Completeness [%]	99.9	99.3
Redundancy	5.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	296	17% - 24% PEG3350 (v/v), 140 - 250 mM Mg2SO4 and 100 mM MES pH 7.2