7NRF

Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000089
Spacegroup name	I 1 2 1
Unit cell lengths	79.610, 79.814, 89.346
Unit cell angles	90.00, 106.42, 90.00

Refinement procedure

Resolution	42.850 - 2.200
R-factor	0.219
Rwork	0.218
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qgw
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.850	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.066	1.269
Rmeas	0.077	1.369
Rpim	0.041	0.717
Number of reflections	27135	2175
<I/σ(I)>	13	1.5
Completeness [%]	99.1
Redundancy	6.9
CC(1/2)	0.999	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Magnesium chloride, 0.03 M Tris pH 8.0, 19% w/v Polyethylene glycol 4,000