9WB6
O-methyltransferase PoOMT1/SAH/2',4'-dihydroxyacetophenone
This is a non-PDB format compatible entry.
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 | 2024-10-30 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.550, 123.830, 87.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.950 - 2.280 |
| R-factor | 0.2138 |
| Rwork | 0.212 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.715 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.570 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Number of reflections | 16634 | 1227 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.996 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.2 M Ammonium acetate, 0.1 M Bis-Tris (pH 6.5), and 25% (w/v) polyethylene glycol 3350 |
