5NMN

Atomic resolution structure of LL-37 in a monomeric state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	60.381, 17.832, 34.032
Unit cell angles	90.00, 105.19, 90.00

Refinement procedure

Resolution	29.136 - 0.950
R-factor	0.1555
Rwork	0.156
R-free	0.15380
Structure solution method	AB INITIO PHASING
RMSD bond length	0.005
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Arcimboldo
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.010
High resolution limit [Å]	0.950	0.950
Rmeas		1.125
Number of reflections	99140	2853
<I/σ(I)>	16.18	1.36
Completeness [%]	92.6	79.2
Redundancy	4.75
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	PEG3350, 100 mM Tris, pH 8