1E5A
Structure of human transthyretin complexed with bromophenols: a new mode of binding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.800, 84.900, 64.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tta |
| RMSD bond length | 0.008 |
| RMSD bond angle | 26.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.345 |
| Total number of observations | 249678 * | |
| Number of reflections | 20818 | 2543 * |
| <I/σ(I)> | 29.4 | 3.7 |
| Completeness [%] | 92.7 | 92.8 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 295 * | pH 5.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | TTR | 0.37 (mM) | |
| 2 | 1 | drop | TBP | 14.6 (mM) | |
| 3 | 1 | drop | Tris | 100 (mM) | |
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 50-55 (%) | |
| 7 | 1 | reservoir | sodium citrate | 100 (mM) |
