8XTE
Crystal structure of methyltransferase MpaG' in complex with SAH and FDHMP
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 32 |
Unit cell lengths | 208.769, 208.769, 67.217 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.920 - 1.990 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.004 |
RMSD bond angle | 0.714 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.970 | 2.030 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.159 | 0.938 |
Rmeas | 0.177 | 1.045 |
Rpim | 0.077 | 0.456 |
Total number of observations | 54830 | |
Number of reflections | 222904 | 10735 |
<I/σ(I)> | 8.1 | 1.9 |
Completeness [%] | 99.8 | |
Redundancy | 5.2 | 5.1 |
CC(1/2) | 0.995 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 15% PEG3350, 0.1M Sodium cacodylate, pH 6.0 and 0.2 M sodium chloride |