6YZH
Crystal structure of P8C9 bound to CK2alpha
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 | 2019-09-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.374, 65.019, 59.198 |
| Unit cell angles | 90.00, 111.20, 90.00 |
Refinement procedure
| Resolution | 55.190 - 1.190 |
| R-factor | 0.1729 |
| Rwork | 0.172 |
| R-free | 0.18990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cu6 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.812 |
| Data reduction software | XDS |
| 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] | 55.190 | 55.190 | 1.260 |
| High resolution limit [Å] | 1.190 | 3.770 | 1.190 |
| Rmerge | 0.110 | 0.062 | 2.478 |
| Rmeas | 0.114 | 0.064 | 2.649 |
| Rpim | 0.029 | 0.016 | 0.908 |
| Total number of observations | 1689252 | 60379 | 84896 |
| Number of reflections | 116431 | 4135 | 10370 |
| <I/σ(I)> | 12.9 | 40.8 | 1 |
| Completeness [%] | 91.9 | 99.9 | 56.4 |
| Redundancy | 14.5 | 14.6 | 8.2 |
| CC(1/2) | 0.999 | 0.999 | 0.341 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 298 | 12 %v/v PEGSH, 0.1 M Mg Acet, 0.1 M KCl,0.1 M MES |
