2A14
Crystal Structure of Human Indolethylamine N-methyltransferase with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-16 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 86.407, 117.461, 66.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.200 - 1.700 |
| R-factor | 0.16412 |
| Rwork | 0.163 |
| R-free | 0.19726 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n7j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.221 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.200 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.049 | 0.119 |
| Number of reflections | 32589 | |
| <I/σ(I)> | 22.8 | 12.6 |
| Completeness [%] | 87.2 | 39.8 |
| Redundancy | 6.5 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 300 | 2.0 M ammonium sulfate, 0.2 M K/Na tartrate, pH 5.6, VAPOR DIFFUSION, temperature 300K |
