5VM0
The hapten triclocarban bound to the single domain camelid nanobody VHH T9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-21 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.113, 52.485, 57.463 |
| Unit cell angles | 90.00, 113.74, 90.00 |
Refinement procedure
| Resolution | 38.470 - 1.790 |
| R-factor | 0.20557 |
| Rwork | 0.204 |
| R-free | 0.24249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ol0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.714 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.470 | 1.880 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.061 | 0.318 |
| Number of reflections | 25168 | |
| <I/σ(I)> | 14.7 | 5.2 |
| Completeness [%] | 97.0 | 86.9 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | protein stock solution was 11 mg/ml well was 10% PEG 3000, 200 mM zinc acetate, 100 mM sodium acetate |
