8OWW
B5-5 nanobody bound to SARS-CoV-2 spike RBD (Wuhan)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-12 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 45.038, 70.029, 109.005 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.079 - 1.969 |
Rwork | 0.181 |
R-free | 0.22310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 2.182 |
Data reduction software | xia2.multiplex |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.079 | 45.040 | 2.020 |
High resolution limit [Å] | 1.969 | 9.020 | 1.970 |
Rmerge | 0.200 | 0.069 | 7.330 |
Rmeas | 0.203 | 0.070 | 7.458 |
Rpim | 0.038 | 0.013 | 1.373 |
Number of reflections | 25155 | 319 | 1708 |
<I/σ(I)> | 15.3 | ||
Completeness [%] | 99.9 | ||
Redundancy | 53.6 | 45.9 | 55.5 |
CC(1/2) | 0.999 | 0.999 | 0.461 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Tris pH 8.5, PEG smear low Seeded from crystals grown in ammonium nitrate, PEG 3350 |