9DGF
Tetrahydroprotoberberine N-methyltransferase product complex with N-methyltetrahydropalmatine and SAH
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.982, 103.982, 82.989 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.686 - 1.850 |
| Rwork | 0.156 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.283 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.690 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 44273 | 2683 |
| <I/σ(I)> | 10.63 | 2.24 |
| Completeness [%] | 99.4 | 97.1 |
| Redundancy | 5.7 | 5.6 |
| CC(1/2) | 0.998 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 29% pentaerythritol ethoxylate (15/4 EO/OH), 0.1 M Tris-Cl, 5% glycerol, 5 mM ammonium sulfate, 0.5mM SAM, 0.5mm tetrahydropalmatine |
