3GNU

Toxin fold as basis for microbial attack and plant defense

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-08-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	51.940, 51.940, 175.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.900 - 1.900
R-factor	0.181
Rwork	0.179
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.521
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SnB
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.044	0.331
Number of reflections	19306	2501
<I/σ(I)>		4.7
Completeness [%]	97.4	90.1
Redundancy	6.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M HEPES-NaOH, 5.0M NaCl, 2% DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M HEPES-NaOH, 5.0M NaCl, 2% DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K