3P9C
Crystal structure of perennial ryegrass LpOMT1 bound to SAH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.699, 67.699, 249.794 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.015 - 1.800 |
Rwork | 0.212 |
R-free | 0.22640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kyz |
RMSD bond length | 0.005 |
RMSD bond angle | 1.193 |
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] | 47.015 | 47.015 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.062 | 0.454 | |
Total number of observations | 16359 | 30121 | |
Number of reflections | 65047 | ||
<I/σ(I)> | 10.4 | 8 | 1.7 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.2 | 8.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1 M Tris-HCl, 21% (w/v) PEG 8000, 0.2 M calcium acetate, 2 mM dithiothreitol, 2.5 mM S-adenosyl-L-homocysteine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |