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 |
