7QPN
Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-30 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.921, 65.625, 117.120 |
Unit cell angles | 90.00, 93.16, 90.00 |
Refinement procedure
Resolution | 116.940 - 1.950 |
R-factor | 0.1951 |
Rwork | 0.192 |
R-free | 0.26150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gk9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.596 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 116.940 | 2.140 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 39543 | 1978 |
<I/σ(I)> | 9.2 | |
Completeness [%] | 91.7 | 56.5 |
Redundancy | 5.4 | 5.1 |
CC(1/2) | 0.996 | 0.560 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% Peg5KMME, 0.3M Ammonium Tartrate, 100mM PCTP, pH 7.5 |