2CWQ

Crystal structure of conserved protein TTHA0727 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	2005-04-15
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97919, 0.97953, 0.96000
Spacegroup name	P 31 2 1
Unit cell lengths	107.102, 107.102, 55.455
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.600 - 1.900
Rwork	0.165
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	29204
<I/σ(I)>	17.54	8.8
Completeness [%]	100.0	100
Redundancy	10.8	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M potassium formate, 21% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K