8C8C
Crystal Structure of Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (PI5P4Ka) bound to an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.661, 84.935, 128.346 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.504 - 2.096 |
| Rwork | 0.216 |
| R-free | 0.28190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.461 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.504 | 2.160 |
| High resolution limit [Å] | 2.096 | 2.100 |
| Rmerge | 0.040 | 0.532 |
| Rmeas | 0.056 | 0.753 |
| Rpim | 0.040 | 0.532 |
| Number of reflections | 19434 | 368 |
| <I/σ(I)> | 10.3 | 1.4 |
| Completeness [%] | 84.7 | 19.6 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.996 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24 % PEG smear low 0.04 M CaCl 0.04 M NaFormate 0.1 M Tris pH pH 8.0 |
