5RMC
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z24758179
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 | 59.219, 70.236, 85.632 |
| Unit cell angles | 102.52, 96.43, 112.39 |
Refinement procedure
| Resolution | 81.630 - 2.150 |
| R-factor | 0.2115 |
| Rwork | 0.209 |
| R-free | 0.25750 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6zsl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.437 |
| 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] | 81.510 | 81.510 | 2.200 |
| High resolution limit [Å] | 2.150 | 9.840 | 2.150 |
| Rmerge | 0.109 | 0.031 | 1.717 |
| Rmeas | 0.131 | 0.037 | 2.059 |
| Rpim | 0.070 | 0.019 | 1.118 |
| Total number of observations | 218963 | 2607 | 15569 |
| Number of reflections | 64437 | ||
| <I/σ(I)> | 7.5 | 26 | 1.6 |
| Completeness [%] | 97.2 | 99 | 95.3 |
| Redundancy | 3.4 | 3.9 | 3.4 |
| CC(1/2) | 0.994 | 0.996 | 0.410 |
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 |
