2AOU
Histamine Methyltransferase Complexed with the Antimalarial Drug Amodiaquine
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 | 2000-06-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 6 |
| Unit cell lengths | 130.890, 130.890, 63.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.213 |
| Rwork | 0.207 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jqd |
| RMSD bond length | 0.011 |
| 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] | 30.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.076 | |
| Number of reflections | 26928 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 97.4 | 96.2 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | PEG 6000, MES, ethyleneglycol, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
