6QY9
Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 277 |
| Detector technology | PIXEL |
| Collection date | 2015-10-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.579, 59.460, 83.080 |
| Unit cell angles | 90.00, 93.64, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.500 |
| R-factor | 0.12699 |
| Rwork | 0.125 |
| R-free | 0.16477 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ofm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.399 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.910 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.130 |
| Number of reflections | 55567 | 2404 |
| <I/σ(I)> | 13.7 | 5 |
| Completeness [%] | 98.3 | 85.5 |
| Redundancy | 4.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M potassium nitrate |
