7KEG
Crystal structure from SARS-COV2 NendoU NSP15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.35502 |
| Spacegroup name | P 63 |
| Unit cell lengths | 150.683, 150.683, 110.299 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.320 - 2.900 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6x1b |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.320 | 49.320 | 3.060 |
| High resolution limit [Å] | 2.900 | 9.170 | 2.900 |
| Rmerge | 0.572 | 0.103 | 2.806 |
| Rmeas | 0.603 | 0.108 | 2.952 |
| Rpim | 0.188 | 0.033 | 0.912 |
| Total number of observations | 315006 | 10608 | 46347 |
| Number of reflections | 31377 | 1041 | 4543 |
| <I/σ(I)> | 5 | 18.5 | 1 |
| Completeness [%] | 99.1 | 99.4 | 98.5 |
| Redundancy | 10 | 10.2 | 10.2 |
| CC(1/2) | 0.960 | 0.997 | 0.316 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 293 | 15% PEG 8000, 0.1 M Sodium/Potassium Phosphate pH 6.2. Cryo-condition by adding 20% (v/v) ethylene glycol |
