2QYO
Crystal structure of isoflavone O-methyltransferase homolog in complex with biochanin A and SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.540, 82.049, 101.034 |
| Unit cell angles | 90.00, 101.94, 90.00 |
Refinement procedure
| Resolution | 31.570 - 1.950 |
| Rwork | 0.214 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Selenomethionine Protein |
| RMSD bond length | 0.080 |
| RMSD bond angle | 0.150 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.061 | 0.386 |
| Number of reflections | 51809 | |
| <I/σ(I)> | 19.9 | 2.44 |
| Completeness [%] | 99.3 | 97.5 |
| Redundancy | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.5M potassium iodide, 40% PEG8000, 0.1M MOPSO, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
