9HVN

Atomic resolution crystal structure of the hexameric antimicrobial peptide Magainin-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 63 2 2
Unit cell lengths	34.359, 34.359, 55.795
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.756 - 1.050
Rwork	0.167
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.553
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUCCANEER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.760	1.077
High resolution limit [Å]	1.050	1.050
Rmerge	0.029	0.920
Number of reflections	9455	576
<I/σ(I)>	27.36
Completeness [%]	97.8
Redundancy	8.1	4.35
CC(1/2)	0.990	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	35% MPD, 20 mM HEPES, pH 7