7ORR
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 105.883, 105.883, 105.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.000 - 1.790 |
| R-factor | 0.1722 |
| Rwork | 0.172 |
| R-free | 0.18440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6zpe |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.265 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.870 | 74.870 | 1.830 |
| High resolution limit [Å] | 1.790 | 8.950 | 1.790 |
| Rmerge | 0.047 | 0.029 | 1.257 |
| Rmeas | 0.049 | 0.031 | 1.377 |
| Rpim | 0.014 | 0.009 | 0.556 |
| Total number of observations | 202442 | 1654 | 6669 |
| Number of reflections | 18631 | 171 | 1113 |
| <I/σ(I)> | 24.3 | 77.5 | 1.5 |
| Completeness [%] | 99.3 | 99 | 100 |
| Redundancy | 10.9 | 9.7 | 6 |
| CC(1/2) | 1.000 | 0.999 | 0.572 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | Protein - 63 mg/mL in 50 mM Tris/HCl pH 8.0, 150 mM NaCl; precipitant (reservoir) - 0.1 M Bis-Tris/HCl pH 6.7, 2.4 M NaCl; 1:1, 1:2, 2:1 protein-to-precipitant ratios, 300 nL total drop volume. Soaking: reservoir solution, supplemented to 50 mM ligand, 5% (v/v) DMSO, 15% (v/v) glycerol; 2 h, 293K. |
