7DHC
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2018-12-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 64.427, 128.382, 132.446 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.092 - 2.592 |
R-factor | 0.1697 |
Rwork | 0.164 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k2l |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.138 | 0.138 |
Rpim | 0.066 | 0.448 |
Number of reflections | 25487 | 1219 |
<I/σ(I)> | 11.6 | |
Completeness [%] | 99.4 | |
Redundancy | 5.4 | |
CC(1/2) | 0.956 | 0.786 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.36 M-0.5 M sodium citrate tribasic dehydrate, 0.01 M sodium borate, pH 7.5-9.5 |