3I5S
Crystal structure of PI3K SH3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.333, 61.049, 61.014 |
| Unit cell angles | 90.00, 111.38, 90.00 |
Refinement procedure
| Resolution | 45.938 - 3.000 |
| R-factor | 0.243 |
| Rwork | 0.240 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pht |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.799 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.940 |
| High resolution limit [Å] | 3.000 |
| Rmerge | 0.113 |
| Number of reflections | 6390 |
| <I/σ(I)> | 10.3 |
| Completeness [%] | 94.0 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 100mM Na-citrate, 0.5M ammonium sulfate, 1M lithium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293.0K |
