5X9M

Structure of hyper-sweet thaumatin (D21N)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-12-10
Detector	RIGAKU RAXIS V
Wavelength(s)	0.8
Spacegroup name	P 41 21 2
Unit cell lengths	57.964, 57.964, 150.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 0.930
Rwork	0.137
R-free	0.14700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3al7
RMSD bond length	0.018
RMSD bond angle	0.037
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.950
High resolution limit [Å]	0.930	0.930
Rmerge	0.056	0.479
Number of reflections	171567
<I/σ(I)>	62.22	3.8
Completeness [%]	99.8	97.4
Redundancy	7.7	3.8
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M ADA, 0.75 M sodium potassium tartrate