7ZWE
The Crystal structure of GW8695 bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-07 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.010, 45.376, 63.508 |
| Unit cell angles | 90.00, 111.45, 90.00 |
Refinement procedure
| Resolution | 59.110 - 1.470 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.110 | 59.110 | 1.550 |
| High resolution limit [Å] | 1.470 | 4.660 | 1.470 |
| Rmerge | 0.295 | 0.092 | 3.263 |
| Rmeas | 0.302 | 0.094 | 3.339 |
| Rpim | 0.060 | 0.019 | 0.695 |
| Total number of observations | 1297695 | 39744 | 169367 |
| Number of reflections | 52165 | 1744 | 7545 |
| <I/σ(I)> | 12.3 | 34.5 | 2 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 24.9 | 22.8 | 22.4 |
| CC(1/2) | 0.998 | 0.998 | 0.532 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate |
