3A7J
Human MST3 kinase in complex with MnADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.816, 53.527, 60.634 |
| Unit cell angles | 90.00, 109.95, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| R-factor | 0.191 |
| Rwork | 0.186 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7i |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.038 | 0.346 |
| Number of reflections | 45787 | |
| <I/σ(I)> | 40.2 | 4.5 |
| Completeness [%] | 99.0 | 99.4 |
| Redundancy | 5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 50mM Tris-HCl, 100mM NaCl, 10%(v/v) glycerol, 5mM dithiothreitol, 10mM ADP, 0.1M Tris-HCl, 180mM MgCl2, 5mM Mn-acetate, 13%(w/v) PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
