5NUO

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	2016-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97886
Spacegroup name	P 21 21 21
Unit cell lengths	95.597, 146.461, 234.931
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.547 - 3.200
R-factor	0.2251
Rwork	0.223
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zfg
RMSD bond length	0.010
RMSD bond angle	1.312
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.600	3.120
High resolution limit [Å]	3.070	3.070
Rpim	0.048	0.425
Number of reflections	62533	2880
<I/σ(I)>	8.5	1.4
Completeness [%]	99.7	92.9
Redundancy	7.1	7.4
CC(1/2)	0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.05 M sodium sulfate, 0.05 M lithium sulfate, 0.05 M Tris pH 8.5 and 35 % PEG 400