8I0O
Crystal structure of Transthyretin variant A97S in monomeric form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-10-21 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.932, 83.970, 84.938 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.790 - 1.880 |
R-factor | 0.1875 |
Rwork | 0.185 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.079 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmeas | 0.129 | |
Rpim | 0.040 | 0.324 |
Number of reflections | 37066 | 3513 |
<I/σ(I)> | 16.23 | |
Completeness [%] | 94.0 | |
Redundancy | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1 M Sodium HEPES; MOPS (acid), 0.3M Sodium fluoride; 0.3M Sodium bromide; 0.3M Sodium iodide, 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350 |