6HI1
PI3 Kinase Delta in complex with 3[6(morpholin4yl)pyridin2yl]phenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.570, 64.360, 116.300 |
| Unit cell angles | 90.00, 103.24, 90.00 |
Refinement procedure
| Resolution | 30.310 - 2.070 |
| R-factor | 0.2134 |
| Rwork | 0.211 |
| R-free | 0.25390 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.061 | 0.662 |
| Number of reflections | 61934 | 4553 |
| <I/σ(I)> | 12.1 | 2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.997 | 0.575 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Morpheus condition: 0.1 M buffer system 1 pH 6.5, 0.1 M carboxylic acids, 30% ethylene glycol/PEG 8000 |
