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 |