5INZ

Racemic structure of baboon theta defensin-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P -1
Unit cell lengths	27.248, 31.303, 37.926
Unit cell angles	100.67, 93.60, 115.15

Refinement procedure

Resolution	36.796 - 1.447
R-factor	0.2235
Rwork	0.222
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lye
RMSD bond length	0.052
RMSD bond angle	1.387
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.8.4_1496)
Refinement software	PHENIX ((1.10_2142))

Data quality characteristics

	Overall
Low resolution limit [Å]	36.796
High resolution limit [Å]	1.447
Number of reflections	18567
<I/σ(I)>	8.6
Completeness [%]	94.4
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	1 M ammonium sulfate, 15% PEG 3350, 0.1 M Bis-tris pH 5.5