4W8G
Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form I)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.239530 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.260, 33.510, 109.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.755 - 1.950 |
R-factor | 0.2522 |
Rwork | 0.250 |
R-free | 0.30190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | truncated form of 1FYV |
RMSD bond length | 0.006 |
RMSD bond angle | 1.216 |
Data reduction software | XDS (March 30, 2013) |
Data scaling software | XSCALE (November 3, 2014) |
Phasing software | MOLREP (11.0.05) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.760 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.193 | 5.035 |
Number of reflections | 9188 | |
<I/σ(I)> | 7.6 | 0.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 12 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM NaOAc buffer pH 5.6, 310 mM MgCl2, 20% (w/v) PEG3350 |