2A98
Crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C
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 | AREA DETECTOR |
| Collection date | 2005-06-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 87.720, 87.720, 174.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.680 - 2.600 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w2c |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.849 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.680 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.075 | 0.634 |
| Number of reflections | 12906 | 1335 |
| <I/σ(I)> | 21.79 | 3.7 |
| Completeness [%] | 97.6 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | PEG3350, Sodium thiocyanate, Magnesium chloride, inositol 1,4,5-trisphosphate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
