2AOV
Histamine Methyltransferase Complexed with the Antifolate Drug Metoprine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2000-04-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 6 |
| Unit cell lengths | 132.890, 132.890, 65.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.000 - 2.480 |
| R-factor | 0.216 |
| Rwork | 0.211 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jqd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | GLRF |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.520 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.071 | 0.191 |
| Number of reflections | 21368 | |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 91.5 | 87.7 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 289 | PEG 6000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
