6I6K
Papaver somniferum O-methyltransferase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.039, 75.868, 76.184 |
| Unit cell angles | 90.00, 101.66, 90.00 |
Refinement procedure
| Resolution | 74.720 - 1.490 |
| R-factor | 0.12981 |
| Rwork | 0.127 |
| R-free | 0.17773 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i5q |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.852 |
| 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] | 75.870 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.075 | 0.837 |
| Rpim | 0.046 | 0.541 |
| Number of reflections | 123365 | 6096 |
| <I/σ(I)> | 9.3 | 1.4 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 4.2 | 4.1 |
| CC(1/2) | 0.997 | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, diammonium citrate |
