6FH5
PI3Kg IN COMPLEX WITH Compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-31 |
| Detector | DECTRIS PILATUS3 R CdTe 300K-W |
| Wavelength(s) | 0.972 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.590, 67.066, 104.897 |
| Unit cell angles | 90.00, 97.28, 90.00 |
Refinement procedure
| Resolution | 53.510 - 2.840 |
| R-factor | 0.2383 |
| Rwork | 0.235 |
| R-free | 0.29570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal Model |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.6 PACIOREK) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.330 | 2.990 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.087 | 1.013 |
| Number of reflections | 22591 | 3285 |
| <I/σ(I)> | 10.7 | 1.4 |
| Completeness [%] | 98.1 | 97.9 |
| Redundancy | 3.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20 Percent PEG3350, 175 mM AmSO4, 10 mM DTT and 100 mM Hepes pH 7.4 to 7.9 |
