1JQD
Crystal Structure Analysis of Human Histamine Methyltransferase (Thr105 Polymorphic Variant) Complexed with AdoHcy and Histamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-12-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.2000 |
| Spacegroup name | P 6 |
| Unit cell lengths | 131.750, 131.750, 64.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.000 - 2.280 |
| R-factor | 0.211 |
| Rwork | 0.205 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | Partially refined 3.3A SeMet HNMT/AdoMet/Histamine structure solved by MAD phasing (crystal grown at pH 7.5). |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.900 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.072 * | 0.266 |
| Total number of observations | 215317 * | |
| Number of reflections | 27999 * | 2582 * |
| <I/σ(I)> | 25.2 | 10.5 |
| Completeness [%] | 98.9 | 89.8 |
| Redundancy | 7.7 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | PEG 6000, isopropanol, sodium citrate, glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 19 (%) | |
| 2 | 1 | reservoir | isopropanol | 19 (%) | |
| 3 | 1 | reservoir | sodium citrate | 95 (mM) | pH5.6 |
| 4 | 1 | reservoir | glycerol | 5 (%) | |
| 5 | 1 | drop | protein | 15-20 (mg/ml) |
