3HHM
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 115.312, 121.453, 152.494 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.239 |
| Rwork | 0.223 |
| R-free | 0.30700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2rd0 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.093 | 0.045 | 0.689 |
| Number of reflections | 53371 | ||
| <I/σ(I)> | 23.607 | ||
| Completeness [%] | 99.8 | 98.9 | 99.6 |
| Redundancy | 6.8 | 6.3 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Na formate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
