1IQB

Crystal Structure of Urtica dioica Agglutinin Isolectin I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	286
Detector technology	AREA DETECTOR
Collection date	1998-02-01
Detector	ENRAF-NONIUS FAST
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	30.710, 42.110, 62.590
Unit cell angles	90.00, 101.55, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.205 *
Rwork	0.205
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ehd
RMSD bond length	0.016
RMSD bond angle	3.320
Data reduction software	MERGF
Data scaling software	MERGEF ((K.HARATA))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.100	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.069	0.294
Total number of observations	47712 *
Number of reflections	14774
Completeness [%]	89.0	25
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG8000, zinc acetate, 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	reservoir	PEG8000	18 (%)
2	1	reservoir	zinc acetate	0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)