1VBP

Crystal structure of artocarpin-mannopentose complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-09-16
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 41 3 2
Unit cell lengths	212.637, 212.637, 212.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 3.500
R-factor	0.263
Rwork	0.263
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j4s
RMSD bond length	0.009
RMSD bond angle	1.800
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.620
High resolution limit [Å]	3.500	3.500
Rmerge	0.161	0.427
Number of reflections	19233
Completeness [%]	90.7	87.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	Ammonium Sulphate, Phosphate Buffer, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K