8FZW

Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	295
Detector technology	PIXEL
Collection date	2021-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979460
Spacegroup name	P 41 21 2
Unit cell lengths	58.666, 58.666, 151.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.390 - 1.480
R-factor	0.1433
Rwork	0.143
R-free	0.15740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.932
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.390	1.533
High resolution limit [Å]	1.480	1.480
Rmerge	0.119	1.937
Rmeas	0.126	2.035
Rpim	0.039	0.618
Number of reflections	45060	4434
<I/σ(I)>	10.89	0.89
Completeness [%]	99.9	99.95
Redundancy	10.3	10.5
CC(1/2)	0.998	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277	1 M L-sodium potassium tartrate with 0.1 M ADA buffer (pH 6-6.5)