3KQT
Crystal Structure of hPNMT in Complex AdoHcy and 2-Amino-1-methylbenzimidazole
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 | 93.852, 93.852, 188.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.486 - 2.399 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23400 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.953 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.077 | 0.036 | 0.546 |
| Number of reflections | 33746 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.7 | 97.2 | 99.8 |
| Redundancy | 9.4 | 8.8 | 8.3 |
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 |
