8X0Y
Crystal structure of JM-1A in complex with SARS-CoV-2 RBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-04-23 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.359, 107.030, 87.340 |
| Unit cell angles | 90.00, 100.75, 90.00 |
Refinement procedure
| Resolution | 19.920 - 1.940 |
| R-factor | 0.1954 |
| Rwork | 0.194 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.032 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.920 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.071 | 0.589 |
| Rmeas | 0.101 | 0.832 |
| Rpim | 0.071 | 0.589 |
| Number of reflections | 98913 | 9822 |
| <I/σ(I)> | 5.8 | 1.34 |
| Completeness [%] | 99.9 | 99.95 |
| Redundancy | 4.8 | 4.7 |
| CC(1/2) | 0.995 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 1M lithium chloride, 0.1M citrate pH 4.0, 20% (w/v) polyethylene glycol 6000 |
