1K92

Crystal Structure of Uncomplexed E. coli Argininosuccinate Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	0.979055
Spacegroup name	I 2 2 2
Unit cell lengths	79.699, 105.837, 127.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.600
R-factor	0.1628 *
Rwork	0.163
R-free	0.17900 *
Structure solution method	MAD
RMSD bond length	0.013 *
RMSD bond angle	1.522 *
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]	50.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.042 *	0.207 *
Number of reflections	70186
Completeness [%]	98.7	87.4 *
Redundancy	9.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	Lemke, C., (1999) Acta Crystallogr., 55, 2028. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)	pH7.5
3	1	reservoir	ammonium sulfate	1.5-1.6 (M)
4	1	reservoir	MES	100 (mM)	pH6.5