7QIE
Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.414, 114.794, 146.853 |
| Unit cell angles | 90.00, 95.51, 90.00 |
Refinement procedure
| Resolution | 146.170 - 2.390 |
| R-factor | 0.2137 |
| Rwork | 0.211 |
| R-free | 0.26570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gk9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 146.170 | 2.460 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Number of reflections | 36705 | 83 |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 72.6 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.839 | 0.359 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22% w/v Peg3350, 0.3 M Ammonium Tartrate, 100mM PCPT pH 7.5 |
