6NC9

Lipid II flippase MurJ, outward-facing conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	128.579, 57.443, 86.406
Unit cell angles	90.00, 100.72, 90.00

Refinement procedure

Resolution	84.897 - 1.800
R-factor	0.1807
Rwork	0.180
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t77
RMSD bond length	0.004
RMSD bond angle	0.656
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	51025
<I/σ(I)>	22.71
Completeness [%]	99.9
Redundancy	23.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		295	PEG400-500, NaCl, pH 6.0-7.5