2ZIE

Crystal Structure of TTHA0409, Putatative DNA Modification Methylase from Thermus thermophilus HB8- Selenomethionine derivative

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	95
Detector technology	CCD
Collection date	2007-10-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97887, 0.90000, 0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	63.577, 58.252, 80.908
Unit cell angles	90.00, 105.52, 90.00

Refinement procedure

Resolution	19.920 - 2.500
Rwork	0.222
R-free	0.25400
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.071	0.291
Number of reflections	19995
<I/σ(I)>	27.2	5.1
Completeness [%]	99.9	100
Redundancy	5.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	293	0.1M Tris HCl, 38% Ethanol, 25mM Mg Chloride, pH 8.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K