3H7C

Crystal Structure of Arabidopsis thaliana Agmatine Deiminase from Cell Free Expression

Experimental procedure

Experimental method	MAD
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)	0.96350,0.97943,0.97957
Spacegroup name	C 1 2 1
Unit cell lengths	123.715, 69.932, 50.917
Unit cell angles	90.00, 98.40, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.147
Rwork	0.146
R-free	0.17400
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.630
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RESOLVE
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.098	0.444
Number of reflections	68398
<I/σ(I)>	19.6	4.1
Completeness [%]	100.0	100
Redundancy	7.5	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Protein solution- 10 mg/ml agmatine deiminase, 50 mM NaCl, 0.3 mM TCEP, 5 mM HEPES, pH 7.0; Precipitant solution- 34% Polyethylene glycol 2000, 200 mM KBr, 100 mM triethanolamine, pH 7.5; Cryoprotectant- MiTeGen LV Cryo Oil, VAPOR DIFFUSION, HANGING DROP, temperature 293K