3KPV
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-29 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.178, 94.178, 188.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.689 - 2.400 |
| R-factor | 0.217 |
| Rwork | 0.214 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.921 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.7 W8RSSI) |
| Phasing software | MIFit |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.690 | 45.690 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.100 | 0.046 | 0.246 |
| Total number of observations | 7528 | 12872 | |
| Number of reflections | 28540 | ||
| <I/σ(I)> | 10.5 | 16.5 | 6.4 |
| Completeness [%] | 83.8 | 71.7 | 54.3 |
| Redundancy | 6.88 | 2.72 | 7.1 |
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 |
