5ENT

Minocycline bound structure of bacterial efflux pump.

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	2015-11-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	109.557, 145.409, 175.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.19601
Rwork	0.193
R-free	0.24768
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5en5
RMSD bond length	0.014
RMSD bond angle	1.655
Data reduction software	xia2
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.162	1.241
Number of reflections	96991
<I/σ(I)>	11.5
Completeness [%]	99.3	99.3
Redundancy	9	8.9
CC(1/2)	0.997	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000