8TSD
Human PI3K p85alpha/p110alpha bound to RLY-2608
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-16 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11584 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.902, 121.522, 192.652 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.780 - 2.700 |
R-factor | 0.2399 |
Rwork | 0.239 |
R-free | 0.27710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.468 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 192.650 | 2.780 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.073 | |
Rmeas | 0.076 | |
Rpim | 0.021 | |
Number of reflections | 56880 | 4580 |
<I/σ(I)> | 17 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.4 | 13.2 |
CC(1/2) | 1.000 | 0.426 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Hepes pH 7.5, 9% PEG-3350 |