3HCD
Crystal Structure of hPNMT in Complex With Noradrenaline and AdoHcy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95667 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 93.649, 93.649, 187.289 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.780 - 2.392 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.239 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.392 | 2.392 |
| Rmerge | 0.069 | 0.785 |
| Number of reflections | 33670 | |
| <I/σ(I)> | 14.8 | 3.7 |
| Redundancy | 14.1 | 14.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | PEG6K, LiCl, cacodylate, pH 5.8, vapor diffusion, hanging drop, temperature 298K |
