6ANG
Crystal structure of PPK2 Class III in the complex with AMP from Cytophaga hutchinsonii ATCC 33406
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 | 2016-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 111.224, 111.224, 177.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.320 - 2.450 |
| R-factor | 0.19115 |
| Rwork | 0.190 |
| R-free | 0.22018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rhf |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.707 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.120 | |
| Number of reflections | 20573 | |
| <I/σ(I)> | 12 | |
| Completeness [%] | 98.5 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 0.8 Ammonium Sulfate 0.1M NaCL 0.1 M Sodium Citrate:HCl pH 4 |
