3KQS
Crystal Structure of hPNMT in Complex AdoHcy and 2-Aminobenzimidazole
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 | 2007-11-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95667 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.653, 94.653, 189.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.319 - 2.005 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.21600 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.855 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MIFit |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.075 | 0.035 | 0.655 |
| Number of reflections | 58278 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.6 | 98.1 | 98.5 |
| Redundancy | 8.8 | 7.8 | 6.3 |
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 |
