5A6N
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-24 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.726, 87.775, 91.301 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.700 |
R-factor | 0.18416 |
Rwork | 0.183 |
R-free | 0.21335 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bhy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.512 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.710 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.060 | 0.350 |
Number of reflections | 71490 | |
<I/σ(I)> | 15.3 | 3.6 |
Completeness [%] | 99.5 | 98.4 |
Redundancy | 4.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.2 | 23% PROPANEDIOL, 0.1M NA/K PHOSPHATE PH 6.2, 10% GLYCEROL |