7WXT

Thaumatin protected by polyacrylamide gel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	95
Detector technology	CCD
Collection date	2021-12-15
Detector	ADSC QUANTUM 270
Wavelength(s)	1.12
Spacegroup name	P 41 21 2
Unit cell lengths	58.013, 58.013, 150.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.940 - 1.700
R-factor	0.1846
Rwork	0.183
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ald
RMSD bond length	0.006
RMSD bond angle	0.789
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.950	3.660	1.760
High resolution limit [Å]	1.700	2.910	1.700
Rmerge	0.204	0.121	1.151
Rmeas	0.211	0.125	1.197
Number of reflections	29190	2974	2850
<I/σ(I)>	20.8	46	2.2
Completeness [%]	100.0	100	100
Redundancy	14.1	14.1	13.2
CC(1/2)	0.993	0.993	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M potassium sodium tartrate, 0.1 M HEPES pH7.5