7ERI
Crystal structure of V30M-TTR in complex with triclabendazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-26 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.993, 85.226, 63.727 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.641 - 1.813 |
R-factor | 0.1906 |
Rwork | 0.189 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pwe |
RMSD bond length | 0.007 |
RMSD bond angle | 0.922 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.610 | 1.880 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmeas | 0.075 | 0.648 |
Rpim | 0.024 | 0.219 |
Number of reflections | 21609 | 2065 |
<I/σ(I)> | 19 | 3.5 |
Completeness [%] | 98.6 | 95.4 |
Redundancy | 9.1 | |
CC(1/2) | 0.999 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG400, CaCl2, NaOAc |