6BU0
Crystal structure of the PI3KC2alpha C2 domain in complex with IP6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 91.652, 126.715, 38.655 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.094 - 2.427 |
R-factor | 0.2115 |
Rwork | 0.209 |
R-free | 0.25010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b3r |
RMSD bond length | 0.009 |
RMSD bond angle | 1.414 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.830 | 2.520 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.046 | 0.496 |
Rmeas | 0.051 | 0.538 |
Rpim | 0.020 | 0.208 |
Total number of observations | 114498 | 11479 |
Number of reflections | 17713 | 1747 |
<I/σ(I)> | 16.8 | 2.7 |
Completeness [%] | 99.6 | 97 |
Redundancy | 6.5 | 6.6 |
CC(1/2) | 0.999 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 8000 |