8TWF

Crystal structure of tetracycline destructase Tet(56-3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	77.964, 134.282, 165.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.740 - 2.400
R-factor	0.2197
Rwork	0.219
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.527
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.740	2.520
High resolution limit [Å]	2.390	2.390
Rmerge	0.090
Number of reflections	68420	6727
<I/σ(I)>	15.07
Completeness [%]	99.6
Redundancy	6.57
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M MES pH 6.0 and 5%(w/v) PEG 3000