6RXB

Crystal structure of TetR-Q116A from Acinetobacter baumannii AYE in complex with minocycline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	62.543, 64.227, 220.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 2.250
R-factor	0.24215
Rwork	0.240
R-free	0.27596
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rx9
RMSD bond length	0.001
RMSD bond angle	1.148
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.256
Rmeas	0.267
Rpim	0.072	0.548
Number of reflections	43315	3920
<I/σ(I)>	6
Completeness [%]	100.0	100
Redundancy	13.7	14
CC(1/2)	0.991	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	291	0.1M Sodium cacodylate, pH5.5, 11% PEG Smear Broad, 3% Tacsimate, pH7.0, and 10% Ethylene glycol