3KR2
Crystal Structure of hPNMT in Complex AdoHcy and 5-fluoro-1H-benzo[d]imidazol-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.426, 94.426, 188.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.717 - 2.300 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.24700 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.089 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.720 | 45.720 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.060 | 0.032 | 0.477 |
| Total number of observations | 15439 | 14754 | |
| Number of reflections | 38507 | ||
| <I/σ(I)> | 10 | 29.5 | 2.3 |
| Completeness [%] | 99.7 | 97.9 | 100 |
| Redundancy | 3.87 | 3.7 | 3.89 |
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 |
