ISDA: 9QQC

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	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.

Unit Cell:

a: 58.61 Å b: 58.61 Å c: 151.7 Å α: 90° β: 90° γ: 90°

Symmetry:

Space Group: P 41 21 2

Crystal Properties:

Matthew's Coefficient: 2.93 Solvent Content: 58.03

Refinement Statistics

Diffraction ID	Structure Solution Method	Cross Validation Method	Resolution Limit (High)	Resolution Limit (Low)	Number of Reflections (Observed)	Number of Reflections (R-free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	FREE R-VALUE	1.800	8.130	25059	1267	98.642	?	0.1923	28.931

Data Collection

Overall

Resolution Limit (High)	Resolution Limit (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1.8	8.13	100	?	?	7.037744	444	?	25123	?	?	?

Highest Resolution Shell

#	Resolution Limits (Low)	Resolution Limits (High)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.8	1.85	?	?	?	?	?	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		273 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	MAX IV BEAMLINE MicroMAX	0.9537	MAX IV	MicroMAX

Software