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 |