5VYP

Crystal structure of the Plant Defensin NsD7 bound to PIP2

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	2016-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	75.605, 83.489, 105.194
Unit cell angles	90.00, 93.99, 90.00

Refinement procedure

Resolution	38.788 - 2.600
R-factor	0.2172
Rwork	0.214
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kk4
RMSD bond length	0.003
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.360	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.097	0.975
Rmeas	0.121	1.222
Rpim	0.071	0.725
Number of reflections	38659	4760
<I/σ(I)>	6.8
Completeness [%]	96.3	97.7
Redundancy	2.7	2.7
CC(1/2)	0.996	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.4	293.15	20.4% PEG 3350, 0.2M Na-formate, 0.1M CAPS, pH 9.4