5TOK
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-L66
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 138.890, 138.890, 221.902 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.376 - 3.800 |
| R-factor | 0.2494 |
| Rwork | 0.247 |
| R-free | 0.28580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Prefusion F (PDB entry 4MMS) and unbound F-VHH-4 structure |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.127 |
| Data reduction software | MOSFLM (7.2.0) |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.380 | 50.380 | 4.060 |
| High resolution limit [Å] | 3.800 | 10.750 | 3.800 |
| Rmerge | 0.332 | 0.054 | 1.246 |
| Rmeas | 0.368 | 0.060 | 1.378 |
| Rpim | 0.157 | 0.027 | 0.581 |
| Total number of observations | 133629 | 5724 | 24581 |
| Number of reflections | 25035 | ||
| <I/σ(I)> | 5.2 | 18.6 | 1.5 |
| Completeness [%] | 99.9 | 98.7 | 100 |
| Redundancy | 5.3 | 4.8 | 5.5 |
| CC(1/2) | 0.975 | 0.997 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 293 | 4.79 mg/mL EndoH-digested DS-Cav1 + F-VHH-L66, 0.05 M potassium phosphate, 20% w/v PEG4000 |
