6AQE
Crystal structure of PPK2 in complex with Mg ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 88.376, 88.376, 190.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.523 - 1.805 |
| R-factor | 0.1628 |
| Rwork | 0.162 |
| R-free | 0.18640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rhf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.618 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((dev_2363: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.100 | |
| Number of reflections | 69957 | |
| <I/σ(I)> | 22 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 297 | 0.2 M CaCl2 0.1 M BisTris 45% MPD |
