8S3R
HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99988 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.121, 108.350, 142.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.230 - 2.280 |
| R-factor | 0.20446 |
| Rwork | 0.203 |
| R-free | 0.26963 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.803 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.230 | 2.530 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.061 | 0.446 |
| Number of reflections | 62597 | 16598 |
| <I/σ(I)> | 10.15 | |
| Completeness [%] | 97.4 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG6000, 0.10 M KCL, 0.10 M MES |
