5BO7

Structure of human sialyltransferase ST8SiaIII in complex with CTP

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	2014-04-29
Detector	RAYONIX MX300HE
Wavelength(s)	0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	71.335, 96.497, 124.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.940 - 1.850
R-factor	0.1715
Rwork	0.170
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bo8
RMSD bond length	0.020
RMSD bond angle	1.988
Data reduction software	XDS
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.940	46.940	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.044	0.018	0.664
Rpim	0.021	0.009	0.398
Total number of observations	349276	2964	13784
Number of reflections	70613
<I/σ(I)>	21.7	78.6	2.1
Completeness [%]	95.8	88.8	86.9
Redundancy	4.9	4.7	3.5
CC(1/2)	1.000	0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	293	0.2 M (NH4)3PO4, 50 mM PIPES, 18-22% PEG2000