9ECN
M. acetivorans MCR containing a 2-methylglutamine modification
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 | 2023-12-14 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.470, 82.940, 122.470 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.15416 |
| Rwork | 0.152 |
| R-free | 0.19272 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.648 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.673 | |
| Number of reflections | 147424 | 20004 |
| <I/σ(I)> | 8.9 | 2.89 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 4.7 | |
| CC(1/2) | 0.994 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 282.15 | 25% w/v PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.2 M ammonium acetate |
