8Q6G
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 8)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-29 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9660 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.737, 67.838, 106.947 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.541 |
R-factor | 0.16999 |
Rwork | 0.167 |
R-free | 0.22134 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 1.021 |
Data reduction software | XDS (VERSION Jan 10, 2022) |
Data scaling software | Aimless (v0.7.9) |
Phasing software | REFMAC (5.8.0405) |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.285 | 1.708 |
High resolution limit [Å] | 1.541 | 1.541 |
Rmerge | 0.095 | 1.119 |
Rmeas | 0.106 | 1.233 |
Rpim | 0.047 | 0.512 |
Number of reflections | 33639 | 1682 |
<I/σ(I)> | 8.4 | 1.6 |
Completeness [%] | 93.6 | 68.9 |
Redundancy | 4.9 | 5.7 |
CC(1/2) | 0.997 | 0.605 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Sodium Formate |