7R1U
Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-21 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.541870 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 168.011, 168.011, 52.085 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.490 - 2.500 |
| R-factor | 0.233049431931 |
| Rwork | 0.232 |
| R-free | 0.25212 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yz1 |
| RMSD bond length | 0.032 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS (xdsgui2) |
| Data scaling software | XDS (xdsgui2) |
| Phasing software | PHASER (2.5.5) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.490 | 2.589 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.603 | 3.751 |
| Rmeas | 0.636 | 3.950 |
| Number of reflections | 29361 | 2909 |
| <I/σ(I)> | 4.64 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.9 | 10.2 |
| CC(1/2) | 0.968 | 0.235 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 8% w/v PEG 8,000; 0.2 M NaCl; 0.1 M MES pH 6 |
