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 |