6Z19
Crystal structure of P8C9 bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 46.262, 46.262, 345.763 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.590 - 1.470 |
| R-factor | 0.1899 |
| Rwork | 0.188 |
| R-free | 0.22080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cu6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.789 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 345.870 | 345.870 | 1.510 |
| High resolution limit [Å] | 1.470 | 6.410 | 1.470 |
| Rmerge | 0.241 | 0.114 | 2.595 |
| Rmeas | 0.245 | 0.116 | 2.655 |
| Rpim | 0.047 | 0.024 | 0.557 |
| Total number of observations | 1764578 | 23080 | 112716 |
| Number of reflections | 66306 | 1028 | 5049 |
| <I/σ(I)> | 7.1 | 16.1 | 1.2 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 26.6 | 22.5 | 22.3 |
| CC(1/2) | 0.997 | 0.998 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 25 %v/v PEGSM, 0.2 M (NH4)2SO4, 0.1 M Na Cacod |
