3LLZ

Crystal Structure Analysis of Maclura pomifera agglutinin complex with Gal-beta-1,3-GalNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-30
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.9793
Spacegroup name	P 64 2 2
Unit cell lengths	66.540, 66.540, 147.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.550
Rwork	0.210
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jot
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.300	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.052	0.199
Number of reflections	31358
<I/σ(I)>	35	6.8
Completeness [%]	98.2	86.6
Redundancy	8.1	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.5 M of lithium sulfate, 12% PEG 8000, 1% octyl-beta-D-glucopyranoside, 0.1M Hepes, pH 7.0 in the resevoir solution. the sitting drop is made by protein (28mg/mL) and equal volumn of reservoir solution in the presence of Gal-beta-1,3-GalNAc., VAPOR DIFFUSION, SITTING DROP, temperature 298K