8PM8
V30M Transthyretin structure in complex with Tolcalpone
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 | 2021-02-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979339 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 42.799, 64.134, 85.002 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.500 - 1.570 |
R-factor | 0.1937 |
Rwork | 0.192 |
R-free | 0.23140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.808 |
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] | 42.800 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Number of reflections | 33424 | 1599 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 99.9 | |
Redundancy | 5.9 | |
CC(1/2) | 0.990 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 0.1M HEPES pH 7.5, 0.2M CaCl2, 25% PEG 400 |