9FE3

Crystallographic structure of AcrB V612W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99182
Spacegroup name	I 2 3
Unit cell lengths	227.428, 227.428, 227.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.420 - 2.300
R-factor	0.2538
Rwork	0.253
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.420	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	86283	8563
<I/σ(I)>	19.98
Completeness [%]	97.7
Redundancy	2
CC(1/2)	1.000	0.190

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	0.1M sodium acetate pH 4.5, 0.1M NaCl, 0.1M MgCl2, 20-37.5% PEG400