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 |
