1RXX

Structure of arginine deiminase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98400, 0.96788, 0.97925, 0.97939
Spacegroup name	P 41 21 2
Unit cell lengths	114.900, 114.900, 300.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.450
Rwork	0.198
R-free	0.26400
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.096	0.416
Total number of observations	829494 *
Number of reflections	74771
<I/σ(I)>	14
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	33% MPD (2-methyl-2,4-pentanediol), 6% PEG 3350, 0.1 M Tris-HCl (pH 7.6), and 4% acetone, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)	pH7.5
2	1	drop		0.1 (M)
3	1	reservoir	MPD	33 (%)
4	1	reservoir	PEG3350	6 (%)
5	1	reservoir	Tris-HCl	0.1 (M)	pH7.6
6	1	reservoir	acetone	4 (%)