5VJA
Crystal Structure of human zipper-interacting protein kinase (ZIPK, alias DAPK3) in complex with a pyrazolo[3,4-d]pyrimidinone ligand (HS38)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2014-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.492, 98.491, 115.022 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 115.020 - 2.460 |
| R-factor | 0.19001 |
| Rwork | 0.188 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p4f |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.737 |
| Data reduction software | MOSFLM (7.1.1) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | AMoRE (6.5.001) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 115.020 |
| High resolution limit [Å] | 2.460 |
| Number of reflections | 42067 |
| <I/σ(I)> | 6.1 |
| Completeness [%] | 97.0 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 1.9 M Na2-Malonate, pH 6.8 |
