8AM0
Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.810, 107.680, 136.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.390 - 2.818 |
R-factor | 0.2861 |
Rwork | 0.285 |
R-free | 0.30000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l1b |
RMSD bond length | 0.007 |
RMSD bond angle | 0.750 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (8-JUN-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.386 | 2.626 |
High resolution limit [Å] | 2.436 | 2.436 |
Rmeas | 0.284 | 2.395 |
Rpim | 0.066 | 0.546 |
Number of reflections | 44827 | 2241 |
<I/σ(I)> | 8.2 | 1.4 |
Completeness [%] | 80.7 | 20.3 |
Redundancy | 18.6 | 19.1 |
CC(1/2) | 0.996 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.1 | 293 | 0.10 M Bis-Tris-Propane pH 8.10, 0.20 M Na 3 -citrate, 10.00 %(w/v) PEG 3350 |