6BUB
Crystal structure of the PI3KC2alpha PX domain in space group P432
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 | 2016-11-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 4 3 2 |
Unit cell lengths | 116.310, 116.310, 116.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.483 - 2.604 |
R-factor | 0.2394 |
Rwork | 0.238 |
R-free | 0.27340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iwl |
RMSD bond length | 0.009 |
RMSD bond angle | 1.168 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.25) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.480 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.132 | 0.869 |
Rmeas | 0.133 | 0.880 |
Rpim | 0.021 | 0.136 |
Total number of observations | 354795 | 41490 |
Number of reflections | 8738 | 1020 |
<I/σ(I)> | 24.9 | 4.8 |
Completeness [%] | 99.8 | 98.6 |
Redundancy | 40.6 | 40.7 |
CC(1/2) | 0.997 | 0.934 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | (NH4)2SO4 |