5RMF
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z54226006
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 | 2020-07-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9126 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.190, 70.107, 85.386 |
| Unit cell angles | 102.60, 96.01, 112.56 |
Refinement procedure
| Resolution | 81.490 - 2.230 |
| R-factor | 0.2107 |
| Rwork | 0.207 |
| R-free | 0.27040 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6zsl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.420 | 81.420 | 2.290 |
| High resolution limit [Å] | 2.230 | 9.710 | 2.230 |
| Rmerge | 0.121 | 0.039 | 1.446 |
| Rmeas | 0.144 | 0.046 | 1.722 |
| Rpim | 0.077 | 0.025 | 0.922 |
| Total number of observations | 195495 | 2680 | 14875 |
| Number of reflections | 57542 | ||
| <I/σ(I)> | 6.2 | 24 | 1 |
| Completeness [%] | 97.2 | 98.9 | 94.1 |
| Redundancy | 3.4 | 3.8 | 3.4 |
| CC(1/2) | 0.990 | 0.993 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 16 % Ethylene Glycol, 8 % PEG 8K, 0.05 M HEPES, 0.05 M MOPS, 0.03 M Sodium Nitrate, 0,03 M Sodium Phosphate, 0.03 M Ammonium Sulphate |
