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 |