2P2Z

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	I 2 2 2
Unit cell lengths	84.914, 92.014, 110.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 1.750
R-factor	0.201
Rwork	0.201
R-free	0.22800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1v37
RMSD bond length	1.600
RMSD bond angle	0.008
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	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.083	0.432
Number of reflections	43568
<I/σ(I)>	8.3	3.3
Completeness [%]	100.0	100
Redundancy	4.8	4.8

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