1FP2
CRYSTAL STRUCTURE ANALYSIS OF ISOFLAVONE O-METHYLTRANSFERASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2000-02-16 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.556, 50.538, 63.824 |
| Unit cell angles | 90.00, 106.69, 90.00 |
Refinement procedure
| Resolution | 69.710 - 1.400 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.23300 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.700 * |
| Total number of observations | 152679 * | |
| Number of reflections | 82735 | |
| <I/σ(I)> | 19.1 | |
| Completeness [%] | 94.4 | 65 * |
| Redundancy | 1.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 15 * | PEG 8000, lithium sulfate, pH 8.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 17 (%(w/v)) | |
| 2 | 1 | reservoir | TAPS | 0.05 (M) | |
| 3 | 1 | reservoir | lithium sulfate | 0.35 (M) | |
| 4 | 1 | reservoir | dithiothreitol | 2 (mM) |
