3P9K
Crystal structure of perennial ryegrass LpOMT1 complexed with S-adenosyl-L-homocysteine and coniferaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.375, 85.062, 98.586 |
Unit cell angles | 90.00, 111.75, 90.00 |
Refinement procedure
Resolution | 48.693 - 2.250 |
Rwork | 0.232 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p9i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.214 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.693 | 48.693 | 2.370 |
High resolution limit [Å] | 2.250 | 7.120 | 2.250 |
Rmerge | 0.058 | 0.439 | |
Total number of observations | 8985 | 28347 | |
Number of reflections | 78617 | ||
<I/σ(I)> | 7.1 | 6.9 | 1.3 |
Completeness [%] | 99.6 | 99.6 | 98.1 |
Redundancy | 3.6 | 3.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M sodium succinate, 28% (w/v) PEG 5000 monomethylether, 2 mM dithiothreitol, 2.5 mM S-adenosyl-L-homocysteine, 5 mM coniferaldehyde, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |