9P15

Thaumatin Room-Temperature In-Situ, Shipped

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-10-02
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	P 41 21 2
Unit cell lengths	58.202, 58.202, 150.459
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.200 - 1.670
Rwork	0.152
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.935
Data reduction software	xia2.multiplex
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.200	54.280	1.700
High resolution limit [Å]	1.670	8.990	1.670
Rmerge	0.147	0.028	1.895
Rmeas	0.157	0.030	2.236
Rpim	0.052	0.010	1.159
Number of reflections	31026	25718	1453
<I/σ(I)>	11.4
Completeness [%]	100.0
Redundancy	14.4	12.3	5.9
CC(1/2)	0.999	1.000	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.59 M di-ammonium tartrate