4XBU
In vitro Crystal Structure of PAK4 in complex with Inka peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2014-07-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 65.620, 65.620, 184.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.810 - 2.060 |
R-factor | 0.20081 |
Rwork | 0.199 |
R-free | 0.24343 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fie |
RMSD bond length | 0.019 |
RMSD bond angle | 2.035 |
Data reduction software | xia2 (0.3.6.0) |
Data scaling software | xia2 (0.3.6.0) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.810 |
High resolution limit [Å] | 2.060 |
Rmerge | 0.074 |
Number of reflections | 25890 |
<I/σ(I)> | 21.2 |
Completeness [%] | 100.0 |
Redundancy | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298.15 | Tris-HCl, PEG 8000 |