1ULK

Crystal Structure of Pokeweed Lectin-C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Detector technology	CCD
Collection date	2001-12-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	104.122, 104.122, 69.697
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.500 * - 1.800
R-factor	0.176
Rwork	0.176
R-free	0.20300
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	22.700 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.500	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.067	0.279
Total number of observations	134896 *
Number of reflections	26091
Completeness [%]	99.9	99.9
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	25 *	sodium acetate, ammonium sulfate, dioxane, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	0.1 (M)	pH7.5
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	sodium acetate	0.1 (M)	pH4.6
4	1	reservoir	ammonium sulfate	2.0 (M)