3KPY
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-06 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 93.908, 93.908, 188.615 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.563 - 2.400 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.27100 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.867 |
| 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] | 45.560 | 45.560 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.096 | 0.031 | 0.276 |
| Total number of observations | 9023 | 9547 | |
| Number of reflections | 30511 | ||
| <I/σ(I)> | 8.6 | 24.9 | 3.8 |
| Completeness [%] | 90.2 | 85.5 | 75 |
| Redundancy | 4.91 | 2.8 | 3.85 |
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 |
