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 |