3T8S
Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.829, 84.877, 95.090 |
| Unit cell angles | 90.00, 116.92, 90.00 |
Refinement procedure
| Resolution | 41.450 - 3.770 |
| R-factor | 0.27805 |
| Rwork | 0.277 |
| R-free | 0.29165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1N4K 1xzz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.880 |
| High resolution limit [Å] | 3.750 | 8.070 | 3.750 |
| Rmerge | 0.096 | 0.038 | 0.783 |
| Number of reflections | 11512 | ||
| <I/σ(I)> | 6.4 | ||
| Completeness [%] | 99.9 | 99.6 | 99.6 |
| Redundancy | 3.8 | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 295 | 100 mM 2-(N-morpholino)ethanesulfonic acid, 4.5% PEG 3350, 0.1 M sodium formate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
