2B9A
Human transthyretin (TTR) complexed with diflunisal analogues- TTR.3',5'-difluorobiphenyl-4-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-01 |
| Detector | CCD-PXL-L600 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.935, 84.852, 63.742 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.180 - 1.540 |
| R-factor | 0.23099 |
| Rwork | 0.222 |
| R-free | 0.24593 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bmz |
| RMSD bond length | 0.067 |
| RMSD bond angle | 2.724 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.180 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 33741 | |
| Completeness [%] | 95.0 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | ammonium sulfate, 100 mM KCL, 1 mM EDTA, 10 mM sodium phosphate, soaked with the inhibitor, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
