2GPY

Crystal structure of putative O-methyltransferase from Bacillus halodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.074
Spacegroup name	P 21 21 21
Unit cell lengths	50.567, 62.807, 137.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.440 - 1.900
R-factor	0.206
Rwork	0.206
R-free	0.24800
Structure solution method	SAD
RMSD bond length	0.024
RMSD bond angle	1.493
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.440	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.044	0.289
Number of reflections	35229	3492
<I/σ(I)>	33.68	4
Completeness [%]	99.8	99.9
Redundancy	5.3	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEGMME 2K, 25mM MgCl2, 10% Glycerol, Tris-Bis, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEGMME 2K, 25mM MgCl2, 10% Glycerol, Tris-Bis, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEGMME 2K, 25mM MgCl2, 10% Glycerol, Tris-Bis, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K