7XYH
Crystal structure of CK2a2 complexed with AG1112
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 |
Unit cell lengths | 46.555, 62.541, 74.065 |
Unit cell angles | 81.42, 75.37, 72.00 |
Refinement procedure
Resolution | 35.720 - 2.040 |
R-factor | 0.2336 |
Rwork | 0.231 |
R-free | 0.28220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tew |
RMSD bond length | 0.015 |
RMSD bond angle | 1.464 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.470 | 2.160 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.144 | |
Number of reflections | 47685 | 7550 |
<I/σ(I)> | 6.79 | |
Completeness [%] | 97.1 | |
Redundancy | 3.64 | |
CC(1/2) | 0.994 | 0.474 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | PEG 10000, Tris-HCl pH 8.0, Sucrose |