8WWQ
geniposidic acid O-methyltransferase complexed with SAH and geniposidic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.825, 103.086, 84.203 |
| Unit cell angles | 90.00, 103.28, 90.00 |
Refinement procedure
| Resolution | 64.232 - 1.958 |
| Rwork | 0.200 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.077 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.300 | 2.060 |
| High resolution limit [Å] | 1.958 | 1.958 |
| Rmerge | 0.071 | 0.580 |
| Number of reflections | 50211 | 6731 |
| <I/σ(I)> | 7 | 2.5 |
| Completeness [%] | 89.8 | |
| Redundancy | 2.8 | |
| CC(1/2) | 0.997 | 0.637 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 0.1M BIS-TRIS pH6.0, 36% v/v Polypropylene glycol PEG 400 |
