2D4R

Crystal structure of TTHA0849 from Thermus thermophilus HB8

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-26
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97911, 0.97940, 0.90000
Spacegroup name	P 21 21 21
Unit cell lengths	56.300, 86.490, 109.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.290 - 2.400
R-factor	0.223
Rwork	0.223
R-free	0.29900
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.280	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	38812
Completeness [%]	96.1	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	25% PEG4000, 0.2M ammonium sulfate, 0.1M CHES, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K