8EN9

TehA native-SAD structure determined at 5 keV with a helium environment

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	H 3
Unit cell lengths	95.399, 95.399, 136.128
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.530 - 2.600
R-factor	0.1747
Rwork	0.170
R-free	0.21740
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.901
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]	39.530	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	28275	3438
<I/σ(I)>	24.4
Completeness [%]	99.8
Redundancy	109.6
CC(1/2)	0.995	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	0.1 M HEPES, 1 mM zinc sulfate, 27-29% PEG400, 10 mM spermidine, 50 mM octyl glucoside