7M52
B6 Fab fragment bound to the HKU4 spike stem helix peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-02-07 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.977410 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.590, 60.600, 79.765 |
| Unit cell angles | 90.00, 93.80, 90.00 |
Refinement procedure
| Resolution | 46.690 - 1.500 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nb8 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.502 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.690 | 46.690 | 1.440 |
| High resolution limit [Å] | 1.420 | 7.780 | 1.420 |
| Rmerge | 0.056 | 0.025 | 1.408 |
| Rmeas | 0.067 | 0.030 | 1.675 |
| Rpim | 0.036 | 0.016 | 0.898 |
| Total number of observations | 277580 | 1673 | 12750 |
| Number of reflections | 80866 | 543 | 3821 |
| <I/σ(I)> | 7.8 | 28.5 | 0.6 |
| Completeness [%] | 96.3 | 98.7 | 92.9 |
| Redundancy | 3.4 | 3.1 | 3.3 |
| CC(1/2) | 0.999 | 0.998 | 0.338 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.6 M Sodium Chloride, 0.1 M MES-NaOH, and 20% (w/v) PEG 4000 |
