3KPJ
Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-03 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.420, 94.420, 186.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.383 - 2.500 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.26700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.121 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.380 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.050 | 0.525 |
| Total number of observations | 11110 | |
| Number of reflections | 29790 | |
| <I/σ(I)> | 11.7 | 2.2 |
| Completeness [%] | 99.1 | 99.9 |
| Redundancy | 3.77 | 3.76 |
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 |
