6YPG
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.653, 45.661, 63.817 |
Unit cell angles | 90.00, 111.05, 90.00 |
Refinement procedure
Resolution | 59.560 - 1.510 |
R-factor | 0.2376 |
Rwork | 0.237 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cu6 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.26) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.560 | 59.560 | 1.550 |
High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
Rmerge | 0.055 | 0.022 | 1.247 |
Rmeas | 0.060 | 0.025 | 1.348 |
Rpim | 0.023 | 0.010 | 0.510 |
Total number of observations | 316989 | 3682 | 23319 |
Number of reflections | 47579 | 592 | 3414 |
<I/σ(I)> | 15.5 | 55.7 | 1.5 |
Completeness [%] | 97.6 | 99.7 | 95.7 |
Redundancy | 6.7 | 6.2 | 6.8 |
CC(1/2) | 0.998 | 0.997 | 0.604 |
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 |