5NUP

Structural basis for maintenance of bacterial outer membrane lipid asymmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	92.377, 145.240, 232.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.383 - 2.900
R-factor	0.2432
Rwork	0.241
R-free	0.29050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1osm
RMSD bond length	0.010
RMSD bond angle	1.368
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]	145.200	2.970
High resolution limit [Å]	2.900	2.900
Rpim	0.068	0.408
Number of reflections	70200	4460
<I/σ(I)>	7	1.7
Completeness [%]	100.0	100
Redundancy	7.2	7
CC(1/2)	0.996	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.04 M magnesium chloride hexahydrate, 0.05 M sodium chloride, 0.1 M HEPES pH7.5 and 32 % PEG400