8VI8

Engineered glutamine binding protein and a cobaloxime ligand - no GLN bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127070
Spacegroup name	C 1 2 1
Unit cell lengths	84.067, 145.797, 123.443
Unit cell angles	90.00, 90.11, 90.00

Refinement procedure

Resolution	30.860 - 3.210
R-factor	0.2843
Rwork	0.284
R-free	0.28980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.560
Data reduction software	XDS (20230505)
Data scaling software	XDS (20230505)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.860	3.325
High resolution limit [Å]	3.210	3.210
Number of reflections	23471	2375
<I/σ(I)>	15.81
Completeness [%]	96.2
Redundancy	3.79
CC(1/2)	0.990	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	2.2 M ammonium sulfate, 0.1 M sodium acetate trihydrate, pH 4.5