8TJG

Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+

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	2023-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	54.065, 57.177, 66.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 1.450
R-factor	0.1629
Rwork	0.161
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.042
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]	66.290	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.068	0.680
Rpim	0.020	0.305
Number of reflections	69151	1522
<I/σ(I)>	19.6	2.2
Completeness [%]	98.5
Redundancy	11.5
CC(1/2)	0.999	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	0.2M ammonium acetate, 0.1M Bis-Tris, pH 5.5, 15% PEG-3350, cryoprotected in 100% paraffin oil