2DP9

Crystal Structure of Conserved Hypothetical Protein TTHA0113 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	CCD
Collection date	2004-09-28
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	52.369, 54.468, 42.980
Unit cell angles	90.00, 97.22, 90.00

Refinement procedure

Resolution	29.570 - 1.900
R-factor	0.215
Rwork	0.215
R-free	0.25000
Structure solution method	MAD
Starting model (for MR)	1wk2
RMSD bond length	0.005
RMSD bond angle	1.200
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
Rmerge	0.060	0.265
Number of reflections	9411
<I/σ(I)>	32.28	4.1
Completeness [%]	99.7	97.8
Redundancy	5.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	0.2M Calcium Acetate, 20% w/v Polyethylene Glycol 3350 , pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	0.2M Calcium Acetate, 20% w/v Polyethylene Glycol 3350 , pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	0.2M Calcium Acetate, 20% w/v Polyethylene Glycol 3350 , pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K