4ANK
Crystallographic study of novel transthyretin ligands exhibiting negative-cooperativity between two T4 binding sites.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.900, 42.570, 64.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.430 - 1.700 |
| R-factor | 0.21015 |
| Rwork | 0.206 |
| R-free | 0.24996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dvq |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.740 | 5.380 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.040 | 0.290 |
| Number of reflections | 26488 | |
| <I/σ(I)> | 19 | 4.6 |
| Completeness [%] | 99.3 | 98 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | POTASSIUM CHLORIDE, POTASSIUM PHOSPHATE, AMMONIUM SULFATE, PH 7.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
