5C4G
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-12 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.820, 105.400, 188.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.040 - 3.200 |
| R-factor | 0.255 |
| Rwork | 0.254 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d0l |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.415 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.040 | 3.420 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.102 | 0.652 |
| Number of reflections | 16111 | |
| <I/σ(I)> | 8.1 | 1.9 |
| Completeness [%] | 95.8 | 91.2 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 290 | PEG-4000, sodium citrate, ammonium sulfate, glycerol |
