9QQG

Acoustofluidic Sample Delivery System for Serial Crystallography, Thaumatin with acoustic OFF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE MicroMAX
Synchrotron site	MAX IV
Beamline	MicroMAX
Temperature [K]	273
Detector technology	PIXEL
Collection date	2024-11-20
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	58.650, 58.650, 151.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.160 - 2.400
Rwork	0.147
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.817
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.160	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	10716	536
<I/σ(I)>	5.97707
Completeness [%]	100.0
Redundancy	396
CC(1/2)	0.980	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		273	100 mg of Thaumatin from Thaumatococcus daniellii (Sigma, T7638) was dissolved in 1 mL of MiliQ water, reaching a concentration of 100 mg/mL with solutions vortexed to ensure complete dissolution. Subsequently, 200 uL of the thaumatin solution was mixed with 200 uL of 1.6 M (Na, K, tartrate) crystallization solution. A tube of the resulting mixture was placed on a rotator operating at 20 C. After an incubation period of 16-18 hr, thaumatin crystals grow to a size of 15-20 um with high density. Crystals were stored at 4 C until the experiment.