8U3S
Structure of human TIRR in complex with VHH4 nanobody
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 | PIXEL |
Collection date | 2021-10-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 48.076, 48.076, 238.906 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.2187 |
Rwork | 0.214 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.905 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.916 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.129 | 0.924 |
Rmeas | 0.143 | 1.056 |
Rpim | 0.060 | 0.491 |
Number of reflections | 23137 | 2231 |
<I/σ(I)> | 7.89 | 0.82 |
Completeness [%] | 85.4 | 73.15 |
Redundancy | 5.5 | 3.6 |
CC(1/2) | 0.997 | 0.583 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Crystals were produced by the hanging-drop vapor diffusion method by mixing 2 microliters of the protein (in 10 mM HEPES, 50 mM NaCl, 2 mM TCEP, pH 7.5) and 2 microliters of the reservoir solution made up of 8% Tacsimate, pH 5, and 20% PEG 3,350 |