7R26
PI3K delta in complex with SD5
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 | 2010-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.003, 64.530, 117.347 |
Unit cell angles | 90.00, 103.32, 90.00 |
Refinement procedure
Resolution | 54.130 - 2.300 |
R-factor | 0.2159 |
Rwork | 0.214 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5is5 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.860 |
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] | 54.135 | 2.122 |
High resolution limit [Å] | 2.086 | 2.086 |
Rmerge | 0.038 | 0.622 |
Number of reflections | 60437 | 3076 |
<I/σ(I)> | 17.1 | 2.2 |
Completeness [%] | 97.1 | |
Redundancy | 3.4 | |
CC(1/2) | 0.999 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 31 mM NaNO4, 13 mM AS, 4 mM Na2HPO4, 20.9 % glycerol,8.55 % PEG4000, 0.1M imidazole pH6.8 |