2AN5
Structure of human PNMT complexed with S-adenosyl-homocysteine and an inhibitor, trans-(1S,2S)-2-amino-1-tetralol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-09-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.020, 94.020, 187.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.360 - 2.500 |
| Rwork | 0.217 |
| R-free | 0.24600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PDB structure 1HNN |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.360 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.076 | 0.462 |
| Number of reflections | 29890 | |
| <I/σ(I)> | 13.9 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.82 | 7.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 6000, LiCl, cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
