1KP2

Crystal Structure of E. coli Argininosuccinate Synthetase in Complex with ATP

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	78.059, 104.050, 128.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 * - 2.000
R-factor	0.1767 *
Rwork	0.177
R-free	0.21640 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k92
RMSD bond length	0.009
RMSD bond angle	1.540 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.064	0.380 *
Total number of observations	200378 *
Number of reflections	35036 *
<I/σ(I)>	15.6
Completeness [%]	98.0 *	86.6
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MES	25 (mM)	pH6.5
3	1	drop	ATP	5 (mM)
4	1	drop		15 (mM)
5	1	drop	guanidine hydrochloride	150 (mM)
6	1	drop	sodium potassium phosphate	2.0 (M)
7	1	drop	MES	100 (mM)	pH6.5
8	1	reservoir	sodium potassium phosphate	1.6 (M)
9	1	reservoir	MES	100 (mM)	pH6.5