5RM4
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1639162606
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 | 59.219, 70.367, 85.533 |
| Unit cell angles | 102.41, 96.27, 112.45 |
Refinement procedure
| Resolution | 81.640 - 2.960 |
| R-factor | 0.1723 |
| Rwork | 0.168 |
| R-free | 0.25330 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6zsl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.750 | 81.750 | 3.140 |
| High resolution limit [Å] | 2.960 | 8.870 | 2.960 |
| Rmerge | 0.212 | 0.057 | 0.922 |
| Rmeas | 0.270 | 0.069 | 1.230 |
| Rpim | 0.163 | 0.038 | 0.803 |
| Total number of observations | 76174 | 3246 | 10635 |
| Number of reflections | 24003 | ||
| <I/σ(I)> | 6.8 | 11.1 | 3.5 |
| Completeness [%] | 94.0 | 98.7 | 89.9 |
| Redundancy | 3.2 | 3.4 | 2.9 |
| CC(1/2) | 0.729 | 0.967 | 0.231 |
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 |
