1RO8

Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex with a substrate analogue, cytidine-5'-monophosphate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97912, 0.97961, 0.97900
Spacegroup name	P 4
Unit cell lengths	115.434, 115.434, 41.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.100 *
R-factor	0.258
Rwork	0.220
R-free	0.25600 *
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.170 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.000	2.000
Number of reflections	62730
<I/σ(I)>	23.9	10.6
Completeness [%]	95.0	95
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG 6000, MPD, Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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	HEPES	100 (mM)	pH7.5
5	1	reservoir	PEG6000	10 (%(w/v))
6	1	reservoir	MPD	5 (%(v/v))