3FCB
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-21 |
Detector | MARRESEARCH |
Wavelength(s) | 0.934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.973, 85.657, 63.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.630 - 1.800 |
R-factor | 0.19757 |
Rwork | 0.196 |
R-free | 0.22618 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f86 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.377 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.630 | 1.848 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.058 | 0.160 |
Number of reflections | 21284 | |
<I/σ(I)> | 27 | 9.9 |
Completeness [%] | 99.9 | 98.7 |
Redundancy | 7.2 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 287 | 2.2 M ammonium sulphate, 7% glycerol and 0.2 M sodium acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 287K |