9FX4

Crystal structure of Cryo2RT Thaumatin at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	57.864, 57.864, 149.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 1.590
R-factor	0.1916
Rwork	0.191
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	1.690
High resolution limit [Å]	1.590	1.590
Rmeas	0.089	2.221
Number of reflections	35191	5547
<I/σ(I)>	23.32	1.31
Completeness [%]	100.0	99.8
Redundancy	25.7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6M Na. K. Tartrate