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 |