9RFR
Methyltransferase XisE in complex with SAH, closed state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.510, 47.560, 85.360 |
| Unit cell angles | 80.03, 79.98, 73.59 |
Refinement procedure
| Resolution | 45.230 - 1.400 |
| R-factor | 0.16328 |
| Rwork | 0.162 |
| R-free | 0.18147 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.172 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.057 | 0.569 |
| Number of reflections | 132287 | 24417 |
| <I/σ(I)> | 13 | 2.9 |
| Completeness [%] | 96.0 | 95 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 200 mM calcium acetate, 20% PEG 3350 |
