4W8H
Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918069 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.730, 63.570, 32.120 |
| Unit cell angles | 90.00, 105.17, 90.00 |
Refinement procedure
| Resolution | 31.785 - 1.140 |
| R-factor | 0.1417 |
| Rwork | 0.140 |
| R-free | 0.17140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w8g |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.364 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | XSCALE (November 3, 2014) |
| Phasing software | MOLREP (11.0.02) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.790 | 1.160 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.112 | 1.659 |
| Number of reflections | 42226 | |
| <I/σ(I)> | 9.1 | 0.7 |
| Completeness [%] | 97.5 | 96.1 |
| Redundancy | 5.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM NaOAc (pH 5;8), 350mM MgCl2, 18% (w/v) PEG 3350 |
