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 |