6NC6

Lipid II flippase MurJ, inward closed 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	P 2 2 21
Unit cell lengths	71.134, 101.759, 158.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.633 - 3.200
R-factor	0.2559
Rwork	0.255
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t77
RMSD bond length	0.004
RMSD bond angle	0.630
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	3.300
High resolution limit [Å]	3.200	3.200
Number of reflections	17624
<I/σ(I)>	9.48
Completeness [%]	99.4
Redundancy	20.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.6	295	1 M NaCl, 50 mM Na acetate-HCl pH 4.6, 40% PEG400