8XTG
Crystal structure of methyltransferase MpaG' in complex with SAH and DMMPA
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 | 2022-10-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 32 |
Unit cell lengths | 199.541, 199.541, 67.154 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.930 - 2.000 |
R-factor | 0.1649 |
Rwork | 0.162 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.003 |
RMSD bond angle | 0.652 |
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] | 2.000 | 2.000 |
Rmerge | 0.131 | 0.942 |
Rmeas | 0.146 | 1.056 |
Rpim | 0.064 | 0.472 |
Total number of observations | 48859 | |
Number of reflections | 202861 | 9929 |
<I/σ(I)> | 10.8 | 1.8 |
Completeness [%] | 99.9 | |
Redundancy | 5.2 | 4.9 |
CC(1/2) | 0.996 | 0.666 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 15% PEG3350 (w/v), 0.1 M sodium cacodylate, pH 6.0 and 0.2 M magnesium chloride |