2PA0

Crystal structure of TTHB049 from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-12-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	83.835, 91.808, 112.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.630 - 2.300
R-factor	0.194
Rwork	0.194
R-free	0.22500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1v37
RMSD bond length	1.400
RMSD bond angle	0.007
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]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.188	0.616
Number of reflections	19605
<I/σ(I)>	4.6	3.5
Completeness [%]	100.0	100
Redundancy	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	295	2.75M NaCl, 0.1M Tris-HCl, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K