3AYT

TTHB071 protein from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	93
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	66.046, 92.627, 85.840
Unit cell angles	90.00, 96.50, 90.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.2057
Rwork	0.204
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.051
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.046	0.018	0.320
Number of reflections	74137
<I/σ(I)>	14.9
Completeness [%]	99.1	98.5	96.8
Redundancy	3.7	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES-NaOH, 0.05M Mg Chloride, 30%(v/v) PEG MME 550, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K