8ENA

Thaumatin native-SAD structure determined at 5 keV with a helium environmet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	2.479
Spacegroup name	P 41 21 2
Unit cell lengths	57.642, 57.642, 150.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.340 - 2.500
R-factor	0.1879
Rwork	0.185
R-free	0.23360
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.795
Data reduction software	DIALS (v1-1545)
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.340	2.530
High resolution limit [Å]	2.500	2.500
Number of reflections	16225	372
<I/σ(I)>	20
Completeness [%]	97.1
Redundancy	183.6
CC(1/2)	0.979	0.065

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.7 M sodium tartrate, 100 mM ADA, pH 6.5