9BXK
OvsM from Marinimicrobium koreense, an ovoselenol-biosynthetic N-methyltransferase in complex with 5-selenohistidine and SAH
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-19 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.838, 90.058, 80.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 1.660 |
| R-factor | 0.1787 |
| Rwork | 0.178 |
| R-free | 0.20510 |
| Structure solution method | SIR |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.207 |
| Data reduction software | XDS (XDS-Apple_M1) |
| Data scaling software | XDS (XDS-Apple_M1) |
| Phasing software | PHASER (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 1.719 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.053 | 0.697 |
| Rmeas | 0.075 | 0.985 |
| Rpim | 0.053 | 0.697 |
| Number of reflections | 35794 | 3373 |
| <I/σ(I)> | 9.95 | 1.2 |
| Completeness [%] | 98.8 | 95.33 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.997 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris-HCl, pH 8.5, 0.2 M tri-sodium citrate, 30% v/v PEG400 |
