1W2D
Human Inositol (1,4,5)-trisphosphate 3-kinase complexed with Mn2+/ADP/Ins(1,3,4,5)P4
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 | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.054, 97.411, 190.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.800 - 1.940 |
| R-factor | 0.228 |
| Rwork | 0.226 |
| R-free | 0.26700 |
| Structure solution method | OTHER |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.751 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.510 | 2.040 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.052 | 0.210 |
| Number of reflections | 48642 | |
| <I/σ(I)> | 8.5537 | 3.6 |
| Completeness [%] | 97.2 | 98.2 |
| Redundancy | 6.83 | 6.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.82 M NA CITRATE, 0.1 M NACL, 0.1 M TRIS PH 8. |
