8ETB

the crystal structure of a rationally designed zinc sensor based on maltose binding protein - Zn binding conformation

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	2022-06-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.28215
Spacegroup name	P 1 21 1
Unit cell lengths	43.834, 68.501, 57.923
Unit cell angles	90.00, 100.79, 90.00

Refinement procedure

Resolution	29.340 - 1.630
R-factor	0.1993
Rwork	0.198
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1omp
RMSD bond length	0.004
RMSD bond angle	0.671
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.340	1.690
High resolution limit [Å]	1.630	1.631
Rmerge	0.067	0.525
Rmeas	0.077	0.606
Rpim	0.038
Number of reflections	79582	3782
<I/σ(I)>	9.49	1.36
Completeness [%]	96.6	90.8
Redundancy	4	3.8
CC(1/2)		0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M MgCl2 , 0.1 M Bis-Tris, pH 6.5, 25% PEG 3350.