9QQC

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

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 9M
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	58.610, 58.610, 151.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.130 - 1.800
Rwork	0.157
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.320
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]	8.130	1.850
High resolution limit [Å]	1.800	1.800
Number of reflections	25123	1229
<I/σ(I)>	7.037744
Completeness [%]	100.0
Redundancy	444
CC(1/2)	0.993	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROFLUIDIC		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.