5VL2
The hapten triclocarban bound to the single domain camelid nanobody VHH T4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.803, 55.304, 103.426 |
| Unit cell angles | 90.00, 111.66, 90.00 |
Refinement procedure
| Resolution | 96.120 - 1.900 |
| R-factor | 0.22162 |
| Rwork | 0.219 |
| R-free | 0.26305 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.654 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.120 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.081 | 0.974 |
| Number of reflections | 80496 | |
| <I/σ(I)> | 11.6 | 2.2 |
| Completeness [%] | 98.0 | 96.4 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | Drop contained 1 ul 25 mg/ml protein and 2 ul well. Well contained 0.2 M ammonium sulfate, 0.1 M sodium acetate, 30% w/v PEG MME 2000 |
