8RF6
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-22 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 36.794, 36.794, 141.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.600 - 1.080 |
R-factor | 0.1844 |
Rwork | 0.183 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.413 |
Data reduction software | XDS (Jan 10, 2022 BUILT=20220820) |
Data scaling software | Aimless (0.7.9) |
Refinement software | PHENIX ((1.20.1-4487-000)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.602 | 1.830 | 1.099 |
High resolution limit [Å] | 1.080 | 1.800 | 1.081 |
Rmerge | 0.102 | 0.139 | 3.650 |
Rmeas | 0.105 | 0.145 | 3.749 |
Rpim | 0.022 | 0.042 | 0.844 |
Number of reflections | 42597 | 476 | 2026 |
<I/σ(I)> | 10.3 | 13.8 | |
Completeness [%] | 99.7 | 99 | |
Redundancy | 23.5 | 11 | 19.4 |
CC(1/2) | 0.994 | 0.483 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | The crystallisation condition used is Index 71 (Cat. No.: HR2-944-71; Hampton Research, Aliso Viejo, CA, USA) containing 0.1 M BIS-TRIS pH 6.5, 0.2 M NaCl and 25% w/v Polyethylene glycol 3350. |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | The crystallisation condition used is Index 71 (Cat. No.: HR2-944-71; Hampton Research, Aliso Viejo, CA, USA) containing 0.1 M BIS-TRIS pH 6.5, 0.2 M NaCl and 25% w/v Polyethylene glycol 3350. |