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 |