1WDT

Crystal structure of ttk003000868 from Thermus thermophilus HB8

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45PX
Synchrotron site	SPring-8
Beamline	BL45PX
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-03
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	158.372, 56.293, 91.825
Unit cell angles	90.00, 104.33, 90.00

Refinement procedure

Resolution	47.240 - 2.200
R-factor	0.197
Rwork	0.197
R-free	0.24100
Structure solution method	Crystal 1 SINGLE WAVELENGTH PROTOCOL, Crysatl 2 MAD PROTOCOL
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	39997
<I/σ(I)>	14.5	3.8
Completeness [%]	100.0	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	iso-Propanol, Magnesium Chloride, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6	293	iso-Propanol, Magnesium Chloride, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K