3LGS

A. thaliana MTA nucleosidase in complex with S-adenosylhomocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.542
Spacegroup name	P 1 21 1
Unit cell lengths	45.850, 126.410, 83.810
Unit cell angles	90.00, 101.73, 90.00

Refinement procedure

Resolution	23.120 - 2.200
R-factor	0.21
Rwork	0.210
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.339
Data reduction software	d*TREK
Data scaling software	d*TREK (9.9.7L)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.120	23.120	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.084	0.058	0.338
Total number of observations		18706	17495
Number of reflections	46037
<I/σ(I)>	7.4	13.6	3
Completeness [%]	97.2	99.1	95.2
Redundancy	3.78	3.79	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.2 M NH4Cl, 18 % (w/v) PEG 3350, 15 % (v/v) Ethylene glycol, pH 7.5, vapor diffusion, temperature 298K