8PMO
Crystal structure of human V122I transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.406, 43.782, 66.045 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.050 - 1.240 |
R-factor | 0.1912 |
Rwork | 0.190 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.814 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.050 | 1.260 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 68808 | 3401 |
<I/σ(I)> | 14.6 | |
Completeness [%] | 100.0 | |
Redundancy | 6.4 | |
CC(1/2) | 0.998 | 0.565 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291.15 | 0.1M HEPES pH 8.0, 0.2M CaCl2, 30% PEG 400 |