3IAU

The structure of the processed form of threonine deaminase isoform 2 from Solanum lycopersicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97957
Spacegroup name	P 61 2 2
Unit cell lengths	136.834, 136.834, 254.226
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.559 - 2.353
R-factor	0.166
Rwork	0.164
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.914
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.133	0.042	0.676
Number of reflections	58877
<I/σ(I)>	7.5
Completeness [%]	100.0	100	100
Redundancy	21.5	20.7	19.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	Protein Solution (10 mg/ml protein, 0.05 M NaCl, 0.003 M NaN3, 0.005 M Bis-Tris pH 7) mixed in a 1:1 ratio with the Well Solution (32% Polyethylene glycol 1500, 0.1 M LiSO4, 0.1 M Sodium Acetate pH 4.5). Cryoprotected with 32% Polyethylene glycol 1500, 0.1 M LiSO4, 5% ethylene glycol, 0.1 M Sodium Acetate pH 4.5, vapor diffusion, hanging drop, temperature 277K