3KR0
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-6-ol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-03 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.303, 94.303, 188.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.732 - 2.600 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.25700 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.229 |
| 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] | 45.730 | 45.730 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
| Rmerge | 0.065 | 0.027 | 0.376 |
| Total number of observations | 8810 | 8377 | |
| Number of reflections | 26367 | ||
| <I/σ(I)> | 9.6 | 29.7 | 2.3 |
| Completeness [%] | 97.8 | 92.7 | 99.3 |
| Redundancy | 3.18 | 3.23 | 3.16 |
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 |
