3HCA
Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-08 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.180, 94.180, 188.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.105 - 2.400 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.712 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.110 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.069 | 0.550 |
| Number of reflections | 30563 | |
| <I/σ(I)> | 17 | 1.5 |
| Redundancy | 6.56 | 3.21 |
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 |
