3SNG

X-ray structure of fully glycosylated bifunctional nuclease TBN1 from Solanum lycopersicum (Tomato)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 31 2 1
Unit cell lengths	101.031, 101.031, 71.529
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 2.160
R-factor	0.18804
Rwork	0.180
R-free	0.22343
Structure solution method	Combination of MAD and Molecular replacement
Starting model (for MR)	PDB ID 1AK0 was used as a model for replacement into initial MAD maps.
RMSD bond length	0.015
RMSD bond angle	1.569
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.6.0060)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.240
High resolution limit [Å]	2.160	2.160
Rmerge	0.094	0.597
Number of reflections	23089
<I/σ(I)>	26.7	4.5
Completeness [%]	100.0	100
Redundancy	11.3	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	1.0 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5, 1% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 291 K