5AUL
PI3K p85 C-terminal SH2 domain/CD28-derived peptide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2014-01-27 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.600, 41.440, 64.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.919 - 1.100 |
| R-factor | 0.1387 |
| Rwork | 0.138 |
| R-free | 0.16030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h9o |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.903 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.068 | 0.320 |
| Number of reflections | 45133 | |
| <I/σ(I)> | 17.7 | 6.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.5 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM Sodium Acetate trihydrate, 200 mM Ammonium Acetate, 30% PEG4000 |
