8PMA
Crystal structure of human V30M 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) | 0.979264 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 44.058, 65.344, 85.214 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.140 - 1.200 |
R-factor | 0.1866 |
Rwork | 0.186 |
R-free | 0.20080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.767 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.060 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 76676 | 3798 |
<I/σ(I)> | 28.3 | |
Completeness [%] | 98.7 | |
Redundancy | 12.8 | |
CC(1/2) | 1.000 | 0.777 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.15 | 0.1M HEPES pH7.0, 0.2M CaCl2, 20% PEG 400 |