8ZUA
The complex structure of MPXV M1R and neutralizing antibody A138
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.390, 136.678, 123.769 |
| Unit cell angles | 90.00, 96.55, 90.00 |
Refinement procedure
| Resolution | 46.670 - 3.490 |
| R-factor | 0.2394 |
| Rwork | 0.237 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i9l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.398 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.620 |
| High resolution limit [Å] | 3.490 | 3.490 |
| Rmerge | 0.253 | 0.779 |
| Number of reflections | 33850 | 3041 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 97.3 | |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M Magnesium formate dihydrate, 15% w/v Polyethylene glycol 3,350 |
