1W2C
Human Inositol (1,4,5) trisphosphate 3-kinase complexed with Mn2+/AMPPNP/Ins(1,4,5)P3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-15 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.063, 97.517, 191.204 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.800 - 1.950 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.24300 |
| Structure solution method | OTHER |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.586 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.050 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.065 | 0.300 |
| Number of reflections | 48847 | |
| <I/σ(I)> | 7.0664 | 2.28 |
| Completeness [%] | 98.7 | 100 |
| Redundancy | 6.68 | 4.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.835 M NA CITRATE, 0.1 M NACL, 0.1 M TRIS PH=8, pH 8.00 |
