6I70
Structure of Fragaria ananassa O-methyltransferase - apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-30 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.203, 147.098, 131.057 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.730 - 2.100 |
R-factor | 0.2034 |
Rwork | 0.202 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i73 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.504 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.730 | 34.730 | 2.200 |
High resolution limit [Å] | 2.100 | 10.000 | 2.100 |
Rmerge | 0.061 | 0.024 | 1.267 |
Rmeas | 0.065 | 0.025 | 1.336 |
Number of reflections | 42203 | 431 | 5430 |
<I/σ(I)> | 24.16 | 77.08 | 1.89 |
Completeness [%] | 99.9 | 96 | 100 |
Redundancy | 10.45 | 9.053 | 10.129 |
CC(1/2) | 1.000 | 1.000 | 0.707 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20-30 % (w/v) PEG3350, 0.2 M Lithium nitrate, 0.1 M Hepes/Sodium |