6O4M

Racemic melittin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.68877
Spacegroup name	C 1 2 1
Unit cell lengths	38.380, 58.990, 44.020
Unit cell angles	90.00, 110.60, 90.00

Refinement procedure

Resolution	23.980 - 1.270
Rwork	0.201
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2mlt
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.200	1.300
High resolution limit [Å]	1.270	1.270
Rmeas	0.076	1.153
Number of reflections	24139	2371
<I/σ(I)>	10.8	1.7
Completeness [%]	99.4	98.4
Redundancy	14	10
CC(1/2)	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.05 M ammonium sulfate, 0.1 M BIS-TRIS pH = 6.5, 30% v/v pentaerythritol ethoxylate (15/4 EO/OH)