6OCU
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.998, 109.407, 142.592 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.800 - 2.770 |
R-factor | 0.2205 |
Rwork | 0.219 |
R-free | 0.28730 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.106 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.800 | 3.020 |
High resolution limit [Å] | 2.770 | 2.770 |
Rmerge | 0.052 | 0.599 |
Rmeas | 0.060 | 0.684 |
Number of reflections | 36583 | 8247 |
<I/σ(I)> | 16.32 | 2.25 |
Completeness [%] | 99.1 | 99.3 |
Redundancy | 4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 16% PEG6000 0.10 M KCl 0.10 M MES pH 6.0 |