1OD7

N-terminal of Sialoadhesin in complex with Me-a-9-N-(naphthyl-2-carbonyl)-amino-9-deoxy-Neu5Ac (NAP compound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	110
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	64.866, 64.866, 64.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.540 - 3.000
R-factor	0.192
Rwork	0.192
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DOMAIN A OF PDB ENTRY 1QFO
RMSD bond length	0.007
RMSD bond angle	25.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.240	0.506 *
Total number of observations	29346 *
Number of reflections	3047
<I/σ(I)>	8.4	2.1
Completeness [%]	97.0	72.5
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.6	17 *	30 % (W/V) PEG 4000, 10 MM DTT, 0.1M SODIUM HEPES PH 5.6,25MM NAP COMPOUND

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	NAP	25 (mM)
2	1	drop	protein	10 (mg/ml)
3	1	drop	HEPES	10 (mM)	pH7.5
4	1	drop	dithiothreitol	10 (mM)
5	1	reservoir	ammonium acetate	0.2 (M)
6	1	reservoir	sodium citrate	0.1 (M)	pH5.6
7	1	reservoir	PEG4000	30 (%(w/v))