1P9B

Structure of fully ligated Adenylosuccinate synthetase from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2003-03-10
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	91.579, 117.117, 80.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.000
Rwork	0.199
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cib
RMSD bond length	0.005
RMSD bond angle	1.331 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.068 *	0.363 *
Total number of observations	358593 *
Number of reflections	29594 *
<I/σ(I)>	7.2	2.2
Completeness [%]	97.8 *	97.1 *
Redundancy	5.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	293	PEG4000, Sodium cacodylate, pH 6.5, LIQUID DIFFUSION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	ligands	5 (mM)
3	1	drop	magnesium acetate	50 (mM)
4	1	reservoir	sodium cacodylate	100 (mM)	pH6.5
5	1	reservoir	PEG4000	20-25 (%(w/v))