8HVF

Crystal structure of Thaumatin (100 ms)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-22
Detector	PSI PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 41 21 2
Unit cell lengths	57.931, 57.931, 150.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.910 - 1.130
R-factor	0.1682
Rwork	0.168
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.941
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.910	1.170
High resolution limit [Å]	1.130	1.130
Number of reflections	2350491	9513
<I/σ(I)>	11.37
Completeness [%]	99.9
Redundancy	24.3
CC(1/2)	0.999	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.5	tartrate acid