7A04
Structure of human CKa1 in complex with compound b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.666, 118.771, 130.998 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.150 |
| R-factor | 0.19254 |
| Rwork | 0.191 |
| R-free | 0.23382 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g15 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.527 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.092 | 0.715 |
| Number of reflections | 48047 | 6883 |
| <I/σ(I)> | 16.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG3350, potassium chloride |
