4Z0W

Peptaibol gichigamin isolated from Tolypocladium sup_5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-01
Detector	RIGAKU
Wavelength(s)	1.542
Spacegroup name	P 1
Unit cell lengths	10.065, 18.791, 31.424
Unit cell angles	75.16, 88.54, 86.48

Refinement procedure

Resolution	25.000 - 1.100
R-factor	0.1098
R-free	0.12060
Structure solution method	AB INITIO
RMSD bond length	0.020
RMSD bond angle	0.041
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.108	0.293
Number of reflections	14245
<I/σ(I)>	15.253	5.412
Completeness [%]	99.8	99.6
Redundancy	4.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		295.65	100% METHANOL