6NB8
Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment
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 | 2018-05-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.823, 104.406, 108.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.680 - 1.500 |
| R-factor | 0.13055 |
| Rwork | 0.129 |
| R-free | 0.16714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6c5v |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.463 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 75.302 | 37.823 | 1.580 |
| High resolution limit [Å] | 1.499 | 4.740 | 1.500 |
| Rmerge | 0.023 | 0.641 | |
| Rmeas | 0.065 | 0.025 | 0.729 |
| Rpim | 0.026 | 0.010 | 0.337 |
| Number of reflections | 69810 | 2435 | 9872 |
| <I/σ(I)> | 16.2 | 26.4 | 1.1 |
| Completeness [%] | 99.6 | 99.7 | 97.7 |
| Redundancy | 6.1 | 6.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 3.5 M sodium formate |
