8HVE

Crystal structure of Thaumatin (1 s)

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	57.898, 57.898, 150.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.060 - 1.130
R-factor	0.1838
Rwork	0.184
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.998
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]	54.060	1.170
High resolution limit [Å]	1.130	1.130
Number of reflections	183549	9523
<I/σ(I)>	9.24
Completeness [%]	100.0
Redundancy	23.7
CC(1/2)	0.998	0.406

Crystallization Conditions

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