3P3R
Transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Detector technology | CCD |
Collection date | 2010-04-19 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.848, 84.914, 64.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.250 |
R-factor | 0.1558 |
Rwork | 0.155 |
R-free | 0.17960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fbr |
RMSD bond length | 0.020 |
RMSD bond angle | 1.953 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.290 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.029 | |
Number of reflections | 65516 | |
<I/σ(I)> | 56.5 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 7.2 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | The WT-TTR was concentrated to 4 mg/mL in 10 mM NaPi, 100 mM KCl, at pH 7.6 and co-crystallized at room temperature using the vapor-diffusion sitting drop method. Crystals were grown from 1.395 M sodium citrate, 3.5% v/v glycerol at pH 5.5. The crystals were frozen using a cryo-protectant solution of 1.395 M sodium citrate, pH 5.5, containing 10% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |