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 |