5TP3
Crystal structure of the RSV-neutralizing single-domain antibody F-VHH-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-11-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.710, 47.770, 149.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.520 - 1.874 |
| R-factor | 0.1748 |
| Rwork | 0.170 |
| R-free | 0.20760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4grw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.812 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.520 | 34.520 | 1.920 |
| High resolution limit [Å] | 1.870 | 8.990 | 1.870 |
| Rmerge | 0.118 | 0.053 | 1.125 |
| Rmeas | 0.129 | 0.058 | 1.240 |
| Rpim | 0.050 | 0.024 | 0.515 |
| Total number of observations | 191280 | 1688 | 10461 |
| Number of reflections | 29019 | ||
| <I/σ(I)> | 11.1 | 18.3 | 2.1 |
| Completeness [%] | 100.0 | 96.5 | 100 |
| Redundancy | 6.6 | 5.4 | 5.6 |
| CC(1/2) | 0.995 | 0.997 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 3% PEG400, 2.2 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M HEPES |
