6I6L
Papaver somniferum O-methyltransferase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.221, 75.942, 76.571 |
| Unit cell angles | 90.00, 101.62, 90.00 |
Refinement procedure
| Resolution | 75.110 - 1.290 |
| R-factor | 0.12596 |
| Rwork | 0.124 |
| R-free | 0.15775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i5q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.962 |
| 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] | 75.940 | 1.310 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.052 | 0.813 |
| Rpim | 0.037 | 0.604 |
| Number of reflections | 184110 | 8747 |
| <I/σ(I)> | 9.5 | 1.7 |
| Completeness [%] | 95.5 | 92.3 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.997 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, diammonium citrate |
