7R2B
PI3Kdelta in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.290, 64.056, 117.185 |
| Unit cell angles | 90.00, 103.19, 90.00 |
Refinement procedure
| Resolution | 58.140 - 2.700 |
| R-factor | 0.2247 |
| Rwork | 0.222 |
| R-free | 0.26590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5is5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| Data reduction software | autoPROC (1.1.7 (20-OCT-2021)) |
| Data scaling software | autoPROC (1.1.7 (20-OCT-2021)) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 114.095 | 2.558 |
| High resolution limit [Å] | 2.515 | 2.515 |
| Rmerge | 0.069 | 0.615 |
| Rpim | 0.045 | 0.401 |
| Number of reflections | 35003 | 1742 |
| <I/σ(I)> | 10.6 | 3.3 |
| Completeness [%] | 99.3 | |
| Redundancy | 3.3 | 2.1 |
| CC(1/2) | 0.998 | 0.745 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 4 mM NaNO4,36mM AS,.9mM Na2HPO4,13.1% glycerol, 9.1% PEG4000, 0.1M imidazole pH6.9 |
