6P3M
Tetrahydroprotoberberine N-methyltransferase in complex with S-adenosylhomocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-28 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.693, 103.693, 82.812 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.600 - 1.800 |
| R-factor | 0.16405 |
| Rwork | 0.162 |
| R-free | 0.19694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kok |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.175 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.600 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.056 | 1.170 |
| Number of reflections | 48045 | 3522 |
| <I/σ(I)> | 26.93 | 2.18 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9.9 | 9.4 |
| CC(1/2) | 1.000 | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Ammonium Sulfate, Glycerol, Pentaerythritol ethoxylate (15/4 EO/OH), Tris-Cl |
