6I71
Structure of Fragaria ananassa O-methyltransferase in complex with S-adenosylhomocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8943 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.387, 87.772, 145.184 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.960 - 1.400 |
R-factor | 0.1508 |
Rwork | 0.150 |
R-free | 0.16710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i73 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.593 |
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] | 29.960 | 29.960 | 1.500 |
High resolution limit [Å] | 1.400 | 10.000 | 1.400 |
Rmerge | 0.056 | 0.021 | 0.758 |
Rmeas | 0.060 | 0.023 | 0.817 |
Total number of observations | 1466233 | ||
Number of reflections | 164879 | 507 | 28816 |
<I/σ(I)> | 22.69 | 59.84 | 2.4 |
Completeness [%] | 98.7 | 93.7 | 93.2 |
Redundancy | 8.893 | 5.781 | 7.188 |
CC(1/2) | 1.000 | 0.999 | 0.763 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.5-1 M Ammonium sulfate, 1 M Lithium sulfate, 0.1 M Sodium malonate |