2E6X

X-ray structure of TT1592 from Thermus thermophilus HB8

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-11
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9, 0.97910, 0.97941
Spacegroup name	C 1 2 1
Unit cell lengths	96.486, 56.051, 48.885
Unit cell angles	90.00, 93.48, 90.00

Refinement procedure

Resolution	35.360 - 2.000
R-factor	0.214
Rwork	0.214
R-free	0.25300
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.360	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.192
Number of reflections	17159
<I/σ(I)>	13.7	3.86
Completeness [%]	97.4	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.6M potassium thiocyanate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K