8RFC
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 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 | 2023-07-23 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 36.827, 36.827, 142.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.650 - 1.100 |
R-factor | 0.1792 |
Rwork | 0.178 |
R-free | 0.20570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.324 |
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] | 35.650 | 1.830 | 1.115 |
High resolution limit [Å] | 1.096 | 1.800 | 1.096 |
Rmerge | 0.121 | 0.343 | 3.818 |
Rmeas | 0.124 | 3.944 | |
Rpim | 0.026 | 0.104 | 0.976 |
Number of reflections | 41291 | 471 | 2034 |
<I/σ(I)> | 12 | 1.1 | |
Completeness [%] | 99.6 | 97.5 | |
Redundancy | 20.9 | 11.2 | 16.3 |
CC(1/2) | 0.996 | 0.934 |
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. |