7JWE
Gedatolisib bound to the PI3Kg catalytic subunit p110 gamma
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2019-08-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.500, 67.620, 106.330 |
| Unit cell angles | 90.00, 95.43, 90.00 |
Refinement procedure
| Resolution | 44.590 - 2.550 |
| R-factor | 0.2112 |
| Rwork | 0.209 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jha |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.590 | 2.641 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.061 | 1.349 |
| Rmeas | 0.073 | 1.602 |
| Rpim | 0.039 | 0.856 |
| Number of reflections | 33183 | 3303 |
| <I/σ(I)> | 11.91 | 0.87 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.999 | 0.385 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 100 mM Tris pH 7.5, 250 mM (NH4)2SO4 and 20-22% PEG 4000 |
