7N83
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91256 |
| Spacegroup name | P 63 |
| Unit cell lengths | 150.078, 150.078, 111.149 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 129.970 - 1.910 |
| R-factor | 0.2095 |
| Rwork | 0.208 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6x1b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (20-MAY-2020)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 129.970 | 129.914 | 1.948 |
| High resolution limit [Å] | 1.910 | 5.197 | 1.915 |
| Rmerge | 0.152 | 0.044 | 4.975 |
| Rmeas | 0.160 | 0.046 | 5.277 |
| Rpim | 0.050 | 0.014 | 1.755 |
| Total number of observations | 58388 | 49497 | |
| Number of reflections | 109189 | 5580 | 5497 |
| <I/σ(I)> | 9.5 | 40.6 | 0.4 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 10.3 | 10.5 | 9 |
| CC(1/2) | 0.999 | 0.999 | 0.298 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M Na3 Citrate pH 5,14% w/v PEG6000 |
