1K97

Crystal Structure of E. coli Argininosuccinate Synthetase in complex with Aspartate and Citrulline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	77.996, 105.336, 127.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.000
R-factor	0.1757 *
Rwork	0.176
R-free	0.21430 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k91
RMSD bond length	0.009
RMSD bond angle	1.386 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.057 *	0.265 *
Number of reflections	35667
Completeness [%]	99.3	97.6 *
Redundancy	7.8 *

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