7QUX
Crystal structure of P7C8 bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 88 |
| Detector technology | PIXEL |
| Collection date | 2021-12-09 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.461, 63.250, 58.672 |
| Unit cell angles | 90.00, 108.44, 90.00 |
Refinement procedure
| Resolution | 55.660 - 1.480 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.672 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.660 | 55.660 | 1.560 |
| High resolution limit [Å] | 1.480 | 4.680 | 1.480 |
| Rmerge | 0.077 | 0.027 | 4.027 |
| Rmeas | 0.079 | 0.028 | 4.154 |
| Rpim | 0.019 | 0.007 | 1.010 |
| Total number of observations | 1135548 | 38484 | 159071 |
| Number of reflections | 66333 | 2187 | 9600 |
| <I/σ(I)> | 18 | 88.2 | 0.7 |
| Completeness [%] | 99.8 | 99.9 | 99.3 |
| Redundancy | 17.1 | 17.6 | 16.6 |
| CC(1/2) | 1.000 | 1.000 | 0.409 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M Ammonium sulfate, 30 % w/v PEG 4000 |
