5TOJ
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 173.189, 173.189, 153.301 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.956 - 3.300 |
| R-factor | 0.1866 |
| Rwork | 0.184 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Prefusion F (PDB entry 4MMS) and unbound F-VHH-4 structure |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.195 |
| Data reduction software | iMOSFLM (7.2.0) |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.960 | 37.960 | 3.430 |
| High resolution limit [Å] | 3.300 | 11.900 | 3.300 |
| Rmerge | 0.188 | 0.040 | 1.081 |
| Rmeas | 0.202 | 0.043 | 1.159 |
| Rpim | 0.073 | 0.016 | 0.415 |
| Total number of observations | 299347 | 6166 | 33451 |
| Number of reflections | 40311 | ||
| <I/σ(I)> | 9.2 | 24.9 | 2.1 |
| Completeness [%] | 99.9 | 97.3 | 100 |
| Redundancy | 7.4 | 6.6 | 7.5 |
| CC(1/2) | 0.995 | 0.999 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 2.45 mg/mL EndoH-digested DS-Cav1 + F-VHH-4, 14.75% w/v PEG3350, 8.8% v/v isopropanol, 0.2 M ammonium citrate |
