1RO7

Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex with a substrate analogue, CMP-3FNeuAc.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	83.660, 66.031, 99.172
Unit cell angles	90.00, 94.42, 90.00

Refinement procedure

Resolution	30.000 * - 1.800
R-factor	0.217
Rwork	0.217
R-free	0.25200 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.390 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.054 *	0.526 *
Total number of observations	429958 *
Number of reflections	99748
<I/σ(I)>	23.6	2
Completeness [%]	99.6 *	98.5
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	PEG MME 2000, sodium chloride, bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop		10 (mM)
3	1	drop	donor	10 (mM)
4	1	reservoir	bicine	100 (mM)	pH9.0
5	1	reservoir	PEG2000 MME	10 (%(w/v))
6	1	reservoir		100 (mM)