8PX9

Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-05-05
Detector	DECTRIS PILATUS 12M
Wavelength(s)	2.7552
Spacegroup name	P 21 21 21
Unit cell lengths	81.190, 109.320, 233.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.670 - 2.800
R-factor	0.29406
Rwork	0.292
R-free	0.32974
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.547
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.670	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.215
Rmeas	0.217
Rpim	0.030
Number of reflections	51873	5092
<I/σ(I)>	12.48	0.27
Completeness [%]	96.8
Redundancy	54.6
CC(1/2)	0.998	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG 4000, 0.1 M ammonium sulphate, 100 mM HEPES pH 7.5 and 22% glycerol