7ZWG
The Crystal structure of RO4493940 bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-07-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.514, 45.289, 62.979 |
| Unit cell angles | 90.00, 111.54, 90.00 |
Refinement procedure
| Resolution | 50.080 - 1.310 |
| R-factor | 0.1888 |
| Rwork | 0.188 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.080 | 50.080 | 1.380 |
| High resolution limit [Å] | 1.310 | 4.130 | 1.310 |
| Rmerge | 0.134 | 0.039 | 3.574 |
| Rmeas | 0.137 | 0.040 | 3.675 |
| Rpim | 0.031 | 0.009 | 0.846 |
| Total number of observations | 44659 | 188745 | |
| Number of reflections | 73264 | 2464 | 10388 |
| <I/σ(I)> | 14.2 | 65.8 | 1 |
| Completeness [%] | 98.3 | 99.8 | 95.9 |
| Redundancy | 18.9 | 18.1 | 18.2 |
| CC(1/2) | 1.000 | 1.000 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate |
