1K7U

Crystal Structure Analysis of crosslinked-WGA3/GlcNAcbeta1,4GlcNAc complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Detector technology	AREA DETECTOR
Collection date	2000-12-30
Detector	ENRAF-NONIUS FAST
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	44.720, 91.550, 44.760
Unit cell angles	90.00, 110.13, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.242 *
Rwork	0.242
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Native WGA3
RMSD bond length	0.014
RMSD bond angle	24.000 *
Data reduction software	MADNESS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.101	0.217
Total number of observations	34763 *
Number of reflections	15896 *
Completeness [%]	92.2 *
Redundancy	2.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.9	298	Harata, K., (1995) Acta Crystallogr., Sect.D, 51, 1013. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	WGA3	2.5 (mg)
2	1	2	acetate	10 (mM)	pH4.9
3	1	2		6 (mM)
4	1	2	ethanol	4 (%(v/v))