9VS6
Crystal structure of isoflavone 4'-O-methyltransferase from Glycyrrhiza glabra L.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.459, 43.679, 119.527 |
| Unit cell angles | 90.00, 96.48, 90.00 |
Refinement procedure
| Resolution | 42.230 - 2.370 |
| R-factor | 0.2592 |
| Rwork | 0.257 |
| R-free | 0.30620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.511 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.230 | 2.500 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.159 | 0.504 |
| Rmeas | 0.174 | 0.585 |
| Rpim | 0.071 | 0.288 |
| Total number of observations | 163012 | 13376 |
| Number of reflections | 28125 | 3605 |
| <I/σ(I)> | 7.5 | 2.5 |
| Completeness [%] | 98.1 | |
| Redundancy | 5.8 | 3.7 |
| CC(1/2) | 0.980 | 0.764 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M potassium phosphate monobasic, 20% w/v polyethylene glycol 3350 |
