7DTL

Crystal structure of PSK, an antimicrobial peptide from Chrysomya megacephala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9193
Spacegroup name	P 31
Unit cell lengths	42.230, 42.230, 70.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.420 - 1.800
R-factor	0.1972
Rwork	0.195
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	AMPLE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.570	1.900
High resolution limit [Å]	1.800	1.800
Rpim	0.029	0.366
Number of reflections	12830	12830
<I/σ(I)>	12.4
Completeness [%]	98.9
Redundancy	6.91
CC(1/2)	0.998	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.19 M NaBr, 0.2 M NH4CH3COO, 0.1 M Tris pH 8.0, 28%(w/v) PEG 3350