7JIS
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F
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 | 2014-04-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.453, 108.255, 142.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.170 - 2.420 |
R-factor | 0.2215 |
Rwork | 0.221 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | previously determined structure |
RMSD bond length | 0.009 |
RMSD bond angle | 1.184 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.170 | 2.670 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmeas | 0.062 | 0.637 |
Number of reflections | 53166 | 13527 |
<I/σ(I)> | 14.26 | 3.28 |
Completeness [%] | 98.4 | 99.1 |
Redundancy | 4.3 | 4.3 |
CC(1/2) | 0.997 | 0.991 |
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 |