5EN3
Crystal structure of human transthyretin in complex with luteolin-Cl at 1.25 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9138 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.040, 85.625, 64.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.455 - 1.250 |
| R-factor | 0.1349 |
| Rwork | 0.134 |
| R-free | 0.15830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f41 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.315 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.540 | |
| Number of reflections | 71090 | |
| <I/σ(I)> | 21.66 | 3.21 |
| Completeness [%] | 99.5 | 97.8 |
| Redundancy | 9 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | Purified TTR was dialyzed against 10 mM Naphosphate buffer with 100 mM KCl, pH 7.6 and concentrated to 5 mg per ml. Crystallization solution contained 1.3 to 1.6 M sodium citrate and 3.5% glycerol. |
