8A9I
PI3KC2a core in complex with PITCOIN1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.157, 133.292, 152.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.490 - 2.870 |
| R-factor | 0.2188 |
| Rwork | 0.217 |
| R-free | 0.25840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bi4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.372 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.490 | 3.040 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmeas | 0.164 | 1.958 |
| Number of reflections | 26676 | 4274 |
| <I/σ(I)> | 9.93 | |
| Completeness [%] | 98.7 | |
| Redundancy | 4.02 | |
| CC(1/2) | 0.995 | 0.289 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 0.1MTris, 8-6% PEG3350, 0.2-0.1M MgSO4 |
