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 |