6HI9
PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol
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 | 2016-02-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 141.910, 64.320, 116.140 |
Unit cell angles | 90.00, 102.69, 90.00 |
Refinement procedure
Resolution | 58.330 - 2.080 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.21300 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | autoBUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.330 | 2.150 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.056 | 0.758 |
Number of reflections | 60539 | 5780 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 98.5 | 96.3 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.999 | 0.555 |
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 |