8RS3

Thaumatin measured via serial crystallography from a kapton HARE-chip (50 micron)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-05-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.976
Spacegroup name	P 41 21 2
Unit cell lengths	58.200, 58.200, 150.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.300 - 1.700
R-factor	0.1635
Rwork	0.163
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.874
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL (0.10.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.300	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	29556	2868
<I/σ(I)>	5.93	1.11
Completeness [%]	100.0
Redundancy	180.5
CC(1/2)	0.982	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	Microcrystals were formed via mixing protein solution with precipitant solution, 0.1mM KH2PO4 pH 6.5, 1.7M sodium tartrate with a 1:3 ratio respectively.