3AQV
Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C
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 | 2007-06-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 70.476, 70.476, 130.508 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.080 |
| R-factor | 0.22423 |
| Rwork | 0.221 |
| R-free | 0.28062 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yza |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.071 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Number of reflections | 20469 | |
| <I/σ(I)> | 34.2 | 8.14 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | 0.1M Bis-Tris (pH 6.5), 1.5M ammonium sulfate, 0.1M NaCl, 0.5mM Compound C, 5mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
