8QF0

Atomic structure of wormGDH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-21
Detector	PSI PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 3 2 1
Unit cell lengths	149.456, 149.456, 144.928
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	144.930 - 1.860
R-factor	0.1785
Rwork	0.176
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	144.930	2.070
High resolution limit [Å]	1.860	1.860
Number of reflections	158711	44531
<I/σ(I)>	2
Completeness [%]	99.3
Redundancy	20
CC(1/2)	0.700	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	12% v/v 2-propanol, 50mM Mes pH 6.0, 200mM potassium chloride, 6mM Cobalt (III) hexamine chloride