5RLV
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2467208649
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 | 2020-07-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9126 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.076, 70.270, 85.688 |
| Unit cell angles | 102.70, 96.47, 112.26 |
Refinement procedure
| Resolution | 81.600 - 2.210 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.25960 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6zsl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.545 |
| 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] | 81.500 | 81.500 | 2.270 |
| High resolution limit [Å] | 2.210 | 9.630 | 2.210 |
| Rmerge | 0.106 | 0.033 | 1.404 |
| Rmeas | 0.127 | 0.040 | 1.702 |
| Rpim | 0.069 | 0.021 | 0.944 |
| Total number of observations | 198240 | 2690 | 15030 |
| Number of reflections | 58910 | ||
| <I/σ(I)> | 7.6 | 25.1 | 1.5 |
| Completeness [%] | 96.7 | 98.5 | 93.9 |
| Redundancy | 3.4 | 3.7 | 3.3 |
| CC(1/2) | 0.992 | 0.991 | 0.383 |
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 |
