8FTV
SgvM methyltransferase triple variant (M144V/F329V/T331A) with SAH and 2-oxo-4-phenylbutanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2021-10-16 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.626, 67.626, 185.352 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.040 |
| R-factor | 0.20904 |
| Rwork | 0.207 |
| R-free | 0.25627 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.259 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.800 | 2.043 |
| High resolution limit [Å] | 2.036 | 2.036 |
| Rmerge | 0.072 | 1.650 |
| Number of reflections | 28470 | 6921 |
| <I/σ(I)> | 27.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 26.3 | |
| CC(1/2) | 0.999 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 283 | PEG 3350 pH 7.5 |
