8J6X
Crystal structure of SARS-CoV2 N-NTD complexed with 5-Benzyloxygramine derivative (P3-8)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 07A |
Synchrotron site | NSRRC |
Beamline | TPS 07A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-09-28 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.97626 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.722, 92.859, 97.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.910 - 2.700 |
R-factor | 0.2359 |
Rwork | 0.231 |
R-free | 0.27930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.592 |
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 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.075 | 0.428 |
Number of reflections | 15467 | 1500 |
<I/σ(I)> | 21.18 | 4.743 |
Completeness [%] | 99.8 | |
Redundancy | 5.9 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | spermine tetrahydrochloride, potassium chloride, Bis-Tris HCl (pH 7.0), PEG 3350 |