3KQW
Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole
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 | 94.405, 94.405, 189.535 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.320 - 2.486 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.26200 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.134 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.143 | 0.067 | 0.585 |
| Number of reflections | 28974 | ||
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 93.6 | 96.9 | 62.5 |
| Redundancy | 7.3 | 8.4 | 3.5 |
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 |
