3HCF
Crystal Structure of hPNMT in Complex With 3-trifluoromethyl phenylethanolamine 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 | 93.514, 93.514, 187.535 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.840 - 2.702 |
| R-factor | 0.197 |
| Rwork | 0.193 |
| R-free | 0.23700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.341 |
| 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] | 41.840 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.062 | 0.444 |
| Number of reflections | 23386 | |
| <I/σ(I)> | 10.8 | 2.3 |
| Redundancy | 9.8 | 9.8 |
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 |
