1EHD

CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ ISOLECTIN VI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	286
Detector technology	DIFFRACTOMETER
Collection date	1999-05-07
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	31.920, 41.290, 76.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.500
R-factor	0.229 *
Rwork	0.229
R-free	0.26700
RMSD bond length	0.015
RMSD bond angle	3.010
Data reduction software	MERGEF
Data scaling software	MERGEF
Phasing software	MIRPHS
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.500	1.427
High resolution limit [Å]	1.400	1.400
Rmerge	0.031	0.323
Number of reflections	19125
<I/σ(I)>	7.98
Completeness [%]	89.0	76.1
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	PEG1000, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG1000	15 (%(w/v))
2	1	reservoir	citrate	0.1 (M)
3	1	drop	protein