9FX5

Crystal structure of Cryo2RT Thaumatin at 296K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	296
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	58.449, 58.449, 151.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.270 - 1.592
R-factor	0.1944
Rwork	0.193
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN HOUSE MODEL
RMSD bond length	0.010
RMSD bond angle	1.040
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]	46.280	1.690
High resolution limit [Å]	1.590	1.590
Rmeas	0.070	2.310
Number of reflections	36150	5700
<I/σ(I)>	27.46	1.15
Completeness [%]	100.0	100
Redundancy	26.15	26.67
CC(1/2)	1.000	0.740

Crystallization Conditions

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