5SW1

Thaumatin Structure at pH 6.0

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	2013-11-09
Detector	RIGAKU RAXIS V
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	52.368, 52.527, 71.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.116 - 1.100
R-factor	0.1314
Rwork	0.131
R-free	0.14480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vhg
RMSD bond length	0.006
RMSD bond angle	1.183
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.071	0.499
Number of reflections	80097
<I/σ(I)>	49.8	5.64
Completeness [%]	100.0	100
Redundancy	6.8	6
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG8000, 50 mM ADA buffer