5NNK

The structure of LL-37 crystallized in the presence LDAO

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	2013-04-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	43.309, 43.309, 109.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.654 - 1.798
R-factor	0.2528
Rwork	0.252
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.321
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.798
Rmeas	0.060
Number of reflections	8560
<I/σ(I)>	15.32
Completeness [%]	94.0
Redundancy	9
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	30% Peg400, 100 mM Hepes, pH 7