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 |