2YYB

Crystal structure of TTHA1606 from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2007-03-11
Detector	RIGAKU RAXIS V
Wavelength(s)	1.000
Spacegroup name	H 3 2
Unit cell lengths	148.186, 148.186, 196.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.780 - 2.600
Rwork	0.239
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nmp
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.780	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.060	0.349
Number of reflections	25740
<I/σ(I)>	53.3	6.03
Completeness [%]	97.2	92.6
Redundancy	8.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES, 28v/w PEG 400, 0.2M CaCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K