5VM6
The hapten triclocarban bound to the single domain camelid nanobody VHH T10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.769, 36.387, 44.598 |
| Unit cell angles | 90.00, 111.18, 90.00 |
Refinement procedure
| Resolution | 41.590 - 1.500 |
| R-factor | 0.17233 |
| Rwork | 0.172 |
| R-free | 0.19310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo T9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.593 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.900 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.071 | 0.400 |
| Number of reflections | 17461 | |
| <I/σ(I)> | 10.4 | 2.7 |
| Completeness [%] | 98.2 | 95 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | protein was 21 mg/ml well contained 1.3 M ammonium sulfate, 100 mM citric acid |
