2JBO
Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-21 |
| Detector | MARRESEARCH |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 253.959, 253.959, 253.959 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.900 - 3.100 |
| R-factor | 0.232 |
| Rwork | 0.230 |
| R-free | 0.27400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ny3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.706 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.900 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.080 | 0.660 |
| Number of reflections | 13232 | |
| <I/σ(I)> | 27.1 | 4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.8 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 1.5-1.6M SODIUM POTASSIUM PHOSPHATE PH 4.5, 0.014M DEOXY-BIGCHAP. THE INHIBITOR WAS SOAKED INTO CRYSTALS GROWN INITIALLY FROM MK2-ADP |
