1KH3

Crystal Structure of Thermus thermophilus HB8 Argininosuccinate Synthetase in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-16
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	229.100, 229.100, 160.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.150
Rwork	0.226
R-free	0.25240 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.380 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.045 *	0.226 *
Total number of observations	717444 *
Number of reflections	169432
Completeness [%]	99.6	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5	293	tris, ammonium sulfate, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	ammonium sulfate	2.4 (M)
3	1	reservoir	glycerol	30 (%(v/v))
4	1	reservoir	Tris-HCl	100 (mM)	pH8.5