6YPJ
Crystal Structure of CK2alpha with Compound 1 bound
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 | 2015-06-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.125, 46.020, 63.707 |
| Unit cell angles | 90.00, 111.13, 90.00 |
Refinement procedure
| Resolution | 23.590 - 1.640 |
| R-factor | 0.1969 |
| Rwork | 0.195 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 54.220 | 54.220 | 1.680 |
| High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
| Rmerge | 0.068 | 0.044 | 0.643 |
| Rmeas | 0.081 | 0.053 | 0.811 |
| Rpim | 0.044 | 0.029 | 0.486 |
| Total number of observations | 123331 | 1509 | 7470 |
| Number of reflections | 38677 | 473 | 2834 |
| <I/σ(I)> | 7.5 | 19.8 | 1.3 |
| Completeness [%] | 99.9 | 99.6 | 99.8 |
| Redundancy | 3.2 | 3.2 | 2.6 |
| CC(1/2) | 0.996 | 0.996 | 0.575 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate |
