4L2Y
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.940, 136.971, 150.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 2.800 |
| R-factor | 0.2182 |
| Rwork | 0.215 |
| R-free | 0.27050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hhm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.961 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.082 | 0.434 |
| Number of reflections | 35633 | |
| <I/σ(I)> | 38.6 | 5.5 |
| Completeness [%] | 96.3 | 98.4 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.15 M Lithium sulfate, 0.1 M Tris PH 8.5, 30%(W/V) PEG 1000MME, vapor diffusion, hanging drop, temperature 291K |
