6SHK

High resolution structure of the antimicrobial peptide Dermcidin from human

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	2018-12-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	H 3 2
Unit cell lengths	50.758, 50.758, 105.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.293 - 1.992
R-factor	0.2806
Rwork	0.281
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ymk
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	1.990	1.990
Rmerge	0.092	3.500
Rmeas	0.098	3.800
Number of reflections	6939	1072
<I/σ(I)>	11.32	0.48
Completeness [%]	99.4
Redundancy	9.34
CC(1/2)	0.990	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	30% PEG 4000, Ph 7, 200 mM Zinc