5VLV
The apo form of the triclocarban-binding single domain camelid nanobody VHH T9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-01-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 48.814, 48.814, 119.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.810 - 1.350 |
R-factor | 0.16314 |
Rwork | 0.162 |
R-free | 0.18887 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | T9 holo |
RMSD bond length | 0.009 |
RMSD bond angle | 1.395 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.810 | 1.390 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.031 | 0.624 |
Number of reflections | 32653 | |
<I/σ(I)> | 24.5 | 2.4 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | protein concentration 40 mg/ml well 25% w/v PEG MME 3350, 200 mM ammonium sulfate, 100 mM Hepes |