3ALD

Crystal structure of sweet-tasting protein Thaumatin I at 1.10 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-18
Detector	RIGAKU RAXIS V
Wavelength(s)	0.7
Spacegroup name	P 41 21 2
Unit cell lengths	57.698, 57.698, 149.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.100
R-free	0.13710
Structure solution method	AB INITIO
RMSD bond length	0.016
RMSD bond angle	0.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.070	0.417
Number of reflections	102886
<I/σ(I)>	37.74	4.91
Completeness [%]	99.7	99.5
Redundancy	5.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.02M ADA, 0.75M TARTRATE, 25% GLYCEROL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K