8DW5
Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 41.198, 64.079, 84.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.260 - 1.520 |
| R-factor | 0.2008 |
| Rwork | 0.197 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tha |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.658 |
| Data reduction software | iMOSFLM (7.4.0) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.060 | 51.060 | 1.550 |
| High resolution limit [Å] | 1.520 | 8.330 | 1.520 |
| Rmerge | 0.119 | 0.055 | 3.931 |
| Rmeas | 0.124 | 0.058 | 3.931 |
| Rpim | 0.035 | 0.018 | 1.070 |
| Number of reflections | 17632 | 132 | 859 |
| <I/σ(I)> | 11 | 29.8 | 1 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 12.6 | 10.3 | 13 |
| CC(1/2) | 0.999 | 0.998 | 0.309 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.71 | 298 | 1.3 M sodium citrate pH 5.71, 3% glycerol |
