5WC8

Structure of a bacterial polysialyltransferase at 2.75 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.91982
Spacegroup name	P 31 2 1
Unit cell lengths	78.080, 78.080, 303.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.760 - 2.750
R-factor	0.193
Rwork	0.190
R-free	0.24200
Structure solution method	SAD
Data scaling software	Aimless (0.5.15)
Phasing software	autoSHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.760	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.179	1.975
Number of reflections	29021
<I/σ(I)>	21.4
Completeness [%]	100.0	100
Redundancy	21.6	22.2

Crystallization Conditions

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