3UBD
Structure of N-terminal domain of RSK2 kinase in complex with flavonoid glycoside SL0101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.446, 40.700, 83.354 |
| Unit cell angles | 90.00, 114.54, 90.00 |
Refinement procedure
| Resolution | 24.400 - 1.530 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g51 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.973 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.560 |
| High resolution limit [Å] | 1.530 | 4.150 | 1.530 |
| Rmerge | 0.062 | 0.041 | 0.471 |
| Number of reflections | 46201 | ||
| <I/σ(I)> | 12.8 | ||
| Completeness [%] | 99.5 | 98.8 | 95.1 |
| Redundancy | 4.5 | 4.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7 | 293 | 0.1 M HEPES pH 7.0, 30% Jeffamine ED2003, hanging drop, temperature 293K |
