8F23

The crystal structure of a rationally designed zinc sensor based on maltose binding protein - Apo conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	44.050, 68.431, 57.676
Unit cell angles	90.00, 101.00, 90.00

Refinement procedure

Resolution	56.620 - 1.930
R-factor	0.192
Rwork	0.189
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1omp
RMSD bond length	0.009
RMSD bond angle	1.070
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]	68.430	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.099
Rmeas	0.108
Rpim	0.041
Number of reflections	25254	1328
<I/σ(I)>	10.4
Completeness [%]	98.1	77.3
Redundancy	6.8	5.9
CC(1/2)	0.998	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M sodium formate, pH 7.0, 20% PEG 3350