9J7Y
the complex structure of MPXV M1R and nanobody M1R-01
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 | 2023-12-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 61 |
| Unit cell lengths | 61.270, 61.270, 167.499 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.860 - 2.590 |
| R-factor | 0.228 |
| Rwork | 0.226 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.604 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Number of reflections | 6593 | 109 |
| <I/σ(I)> | 10.65 | |
| Completeness [%] | 59.7 | |
| Redundancy | 8 | |
| CC(1/2) | 0.990 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1M ammonium acetate, 0.1M Bis-Tris, ph5.5, 17% w/v PEG 10,000 |
