3A7I
Human MST3 kinase in complex with adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.583, 55.598, 60.481 |
| Unit cell angles | 90.00, 111.13, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.450 |
| R-factor | 0.194 |
| Rwork | 0.187 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7g |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.900 |
| 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 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.032 | 0.483 |
| Number of reflections | 50491 | |
| <I/σ(I)> | 45.7 | 2.6 |
| Completeness [%] | 97.0 | 98.2 |
| Redundancy | 4.2 | 4.1 |
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 ATP, 0.1M Tris-HCl, 200mM MgCl2, 13%(w/v) PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
