5NUQ

Structural basis for maintenance of bacterial outer membrane lipid asymmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97886
Spacegroup name	P 21 21 21
Unit cell lengths	115.491, 163.039, 230.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.242 - 3.200
R-factor	0.2436
Rwork	0.238
R-free	0.30650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zfg
RMSD bond length	0.008
RMSD bond angle	1.302
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]	94.242	3.270
High resolution limit [Å]	3.200	3.200
Rpim	0.148	0.494
Number of reflections	72631	4398
<I/σ(I)>	4.5	1.7
Completeness [%]	100.0	100
Redundancy	7.6	7.5
CC(1/2)	0.985	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.32 M lithium chloride 0.1M Sodium citrate pH 5.5 and 14% PEG 400