8IV3
Crystal structure of SARS-CoV2 N-NTD complexed with 5-Benzyloxygramine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-07-01 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.99984 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.586, 92.014, 96.584 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.170 - 1.900 |
| R-factor | 0.2394 |
| Rwork | 0.237 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.895 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.032 | 0.458 |
| Number of reflections | 41952 | 4115 |
| <I/σ(I)> | 37.713 | |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | spermine tetrahydrochlorid, potassium chloride, Bis-Tris HCl pH 7.0, PEG 3350 |
