6BTY
Crystal structure of the PI3KC2alpha C2 domain in space group P41212
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 | 2016-10-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.062, 53.062, 199.794 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.521 - 1.678 |
| R-factor | 0.1971 |
| Rwork | 0.195 |
| R-free | 0.22840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b3r |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.860 | 46.860 | 1.710 |
| High resolution limit [Å] | 1.680 | 9.040 | 1.680 |
| Rmerge | 0.058 | 0.042 | 0.471 |
| Rmeas | 0.064 | 0.047 | 0.514 |
| Rpim | 0.025 | 0.021 | 0.202 |
| Total number of observations | 215571 | 619 | 10070 |
| Number of reflections | 33617 | 160 | 1640 |
| <I/σ(I)> | 13 | 17.8 | 2.8 |
| Completeness [%] | 99.3 | 50.7 | 95.1 |
| Redundancy | 6.4 | 3.9 | 6.1 |
| CC(1/2) | 0.999 | 0.998 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | PEG 3350 |
