5SW2

Thaumatin Structure at pH 6.0, orthorhombic type1

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	CCD
Collection date	2015-12-18
Detector	RAYONIX MX-225
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	50.786, 53.861, 70.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.900 - 1.200
R-factor	0.1379
Rwork	0.137
R-free	0.16480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vhg
RMSD bond length	0.006
RMSD bond angle	1.126
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.900	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.064	0.700
Number of reflections	61408
<I/σ(I)>	18	2.9
Completeness [%]	100.0	100
Redundancy	7.8	7.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG4000, 50 mM ADA