5NUR

Structural basis for maintenance of bacterial outer membrane lipid asymmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97956
Spacegroup name	C 1 2 1
Unit cell lengths	190.550, 179.660, 133.390
Unit cell angles	90.00, 116.55, 90.00

Refinement procedure

Resolution	47.399 - 3.290
R-factor	0.2212
Rwork	0.219
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zfg
RMSD bond length	0.010
RMSD bond angle	1.309
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]	54.270	3.350
High resolution limit [Å]	3.290	3.290
Rpim	0.095	0.534
Number of reflections	60533	3023
<I/σ(I)>	5.2	1.2
Completeness [%]	99.4	99.1
Redundancy	3.9	3.7
CC(1/2)	0.980	0.743

Crystallization Conditions

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