2OWE

Crystal structure of TTHB049 from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-26
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	42.601, 42.601, 156.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.580 - 1.700
R-factor	0.22
Rwork	0.220
R-free	0.24800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1v7q
RMSD bond length	1.500
RMSD bond angle	0.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.064	0.257
Number of reflections	16823
<I/σ(I)>	11.1	6.3
Completeness [%]	100.0	100
Redundancy	9	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	Sodium formate, Acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K