3P9I
Crystal structure of perennial ryegrass LpOMT1 complexed with S-adenosyl-L-homocysteine and sinapaldehyde
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 | 94.938, 85.225, 98.568 |
Unit cell angles | 90.00, 111.10, 90.00 |
Refinement procedure
Resolution | 47.070 - 1.850 |
Rwork | 0.232 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p9c |
RMSD bond length | 0.006 |
RMSD bond angle | 1.194 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.071 | 47.071 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.039 | 0.367 | |
Total number of observations | 16190 | 39478 | |
Number of reflections | 139446 | ||
<I/σ(I)> | 7.3 | 11.8 | 1.7 |
Completeness [%] | 95.7 | 99 | 91.4 |
Redundancy | 3.1 | 4 | 2.4 |
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 monomethylether 5000, 2 mM dithiothreitol, 2.5 mM S-adenosyl-L-homocysteine, 5 mM sinapaldehyde, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |