1WYZ

X-Ray structure of the putative methyltransferase from Bacteroides thetaiotaomicron VPI-5482 at the resolution 2.5 A. Norteast Structural Genomics Consortium target Btr28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	85.785, 101.542, 108.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.740 - 2.500
R-factor	0.226
Rwork	0.226
R-free	0.29300
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.122	0.572
Number of reflections	62929
Completeness [%]	98.4	96
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.2	293	200mM potassium hydrogen phosphate, 20% PEG3350, pH 9.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K