6I6N
Papaver somniferum O-methyltransferase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.249, 75.921, 76.552 |
| Unit cell angles | 90.00, 101.49, 90.00 |
Refinement procedure
| Resolution | 53.310 - 1.500 |
| R-factor | 0.10021 |
| Rwork | 0.098 |
| R-free | 0.13509 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i5q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.904 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.360 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.068 | 0.128 |
| Rpim | 0.036 | 0.074 |
| Number of reflections | 119269 | 5766 |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 97.6 | 96 |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.993 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, diammonium citrate |
