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 |