1ULM

Crystal Structure of Pokeweed Lectin-D2 complexed with tri-N-acetylchitotriose

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	2002-06-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	98.561, 26.282, 65.217
Unit cell angles	90.00, 109.90, 90.00

Refinement procedure

Resolution	24.200 * - 1.800
R-factor	0.195
Rwork	0.195
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	21.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.200	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.342
Total number of observations	54643 *
Number of reflections	14699
Completeness [%]	98.4	97.4
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	PEG 8000, magnesium acetate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	0.1 (M)	pH7.5
3	1	reservoir	PEG8000	20 (%(w/v))
4	1	reservoir	magnesium acetate	0.2 (M)
5	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5