1KH1

Crystal Structure of Thermus thermophilus HB8 Argininosuccinate Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-26
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	228.410, 228.410, 161.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.800 * - 2.300
R-factor	0.1994 *
Rwork	0.199
R-free	0.22910 *
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.310
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.065	0.127 *
Total number of observations	281918 *
Number of reflections	124435
Completeness [%]	89.2	78.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	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