1LXY

Crystal Structure of Arginine Deiminase covalently linked with L-citrulline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-06-15
Detector	MARRESEARCH
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	77.240, 76.370, 82.900
Unit cell angles	90.00, 109.74, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.1861
Rwork	0.186
R-free	0.22700
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	23.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.083	0.220 *
Number of reflections	59662
<I/σ(I)>	11.2	4.6
Completeness [%]	97.1	90.4
Redundancy	3.37 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	4 *	PEG 6000, Potassium phosphate, L-citrulline, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 282K
1	VAPOR DIFFUSION, HANGING DROP	7 *	4 *	PEG 6000, Potassium phosphate, L-citrulline, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 282K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	potassium phosphate	0.01 (M)	pH7.0
3	1	reservoir	PEG6000	18 (%)
4	1	reservoir	potassium phosphate	0.1 (M)	pH6.5