3UBU

Crystal structure of agkisacucetin, a GpIb-binding snaclec (snake C-type lectin) that inhibits platelet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-02
Detector	RAYONIX MX-225
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	30.485, 58.052, 141.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.910
R-factor	0.1933
Rwork	0.192
R-free	0.22239
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.355
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.910
Number of reflections	18923
Completeness [%]	93.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	287	0.28M ammonium sulfate, 17.6% PEG 8000, 0.2M lithium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K