5BO8

Structure of human sialyltransferase ST8SiaIII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	88.170, 94.220, 126.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.430 - 2.700
R-factor	0.1958
Rwork	0.193
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2WNB and 4JS2
RMSD bond length	0.014
RMSD bond angle	1.799
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.430	52.430	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.141	0.045	0.901
Rpim	0.081	0.028	0.542
Total number of observations	94630	2493	12382
Number of reflections	28543
<I/σ(I)>	5.5	10.4	1.4
Completeness [%]	97.4	89.2	99.1
Redundancy	3.3	3.1	3.3
CC(1/2)	0.986	0.995	0.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	18-21% PEG3350, 30 mM sodium tartrate, 100 mM sodium citrate