1UIN

Crystal Structure of Threonine Synthase from Thermus Thermophilus HB8, Trigonal Crystal Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-01-28
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	113.207, 113.207, 150.346
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.250
Rwork	0.191
R-free	0.21900
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	22.500 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.080 *	0.323 *
Total number of observations	486914 *
Number of reflections	53148
Completeness [%]	99.7	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Ammonium Sulfate, Mes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	0.1 (M)	pH6.5
2	1	reservoir	ammonium sulfate	1.45 (M)