3JRR
Crystal structure of the ligand binding suppressor domain of type 3 inositol 1,4,5-trisphosphate receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-15 |
Detector | SBC-3 |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.441, 59.865, 111.399 |
Unit cell angles | 90.00, 97.88, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
Rwork | 0.214 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xzz |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.078 | 0.390 |
Number of reflections | 40370 | |
<I/σ(I)> | 18.2 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 0.1M HEPES, 0.15M NaCl, 14% PEG 4000, 2mM TCEP, 1% Dioxane, 50mM EDTA , pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |