2D04

Crystal structure of neoculin, a sweet protein with taste-modifying activity.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.009, 101.089, 271.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.760
R-factor	0.245
Rwork	0.245
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bwu
RMSD bond length	0.016
RMSD bond angle	2.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (V. 1.2)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.860
High resolution limit [Å]	2.760	2.760
Number of reflections	32626
Completeness [%]	92.8	82.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277	PEG1000, sodium cacodylate, calcium chrolide, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K