5O83
Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors
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 | 2010-08-07 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.120, 63.990, 116.540 |
Unit cell angles | 90.00, 102.89, 90.00 |
Refinement procedure
Resolution | 58.100 - 2.900 |
R-factor | 0.233 |
Rwork | 0.230 |
R-free | 0.27400 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 58.100 |
High resolution limit [Å] | 2.900 |
Number of reflections | 22803 |
<I/σ(I)> | 9.7 |
Completeness [%] | 99.0 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 290 | Equal volumes of reservoir solution (43.3 mM NaNO4, 43.3 mM AS, 43.3 mM Na2HPO4, 20%glycerol, 12% PEG4000, 0.1M imidazole pH6.8) were mixed with protein |