3VG8

Crystal structure of hypothetical protein TTHB210 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	2007-09-29
Detector	RAYONIX MX-225
Wavelength(s)	0.9789, 0.9, 0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	154.977, 100.160, 106.366
Unit cell angles	90.00, 131.19, 90.00

Refinement procedure

Resolution	46.110 - 2.200
R-factor	0.201
Rwork	0.201
R-free	0.25200
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.061	0.272
Number of reflections	61889
<I/σ(I)>	40.2	5.35
Completeness [%]	99.4	97
Redundancy	5.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	293	0.9M K/Na tartrate, 0.1M Tris-HCl, 40mM magnesium chloride, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
2	VAPOR DIFFUSION, HANGING DROP	8.8	293	0.95M K/Na tartrate, 0.1M Tris-HCl, 45mM magnesium chloride, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K