3HCE
Crystal Structure of E185D hPNMT in Complex With Octopamine 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 | 93.691, 93.691, 187.221 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.445 - 2.850 |
| R-factor | 0.19 |
| Rwork | 0.184 |
| R-free | 0.24800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.479 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.098 | 0.833 |
| Number of reflections | 20186 | |
| <I/σ(I)> | 9.7 | 2.1 |
| Redundancy | 7.5 | 6.6 |
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 |
