6AN9
Crystal structure of PPk2 class III in complex with ADP 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 | 2013-09-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 111.121, 111.121, 178.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.287 - 1.891 |
| R-factor | 0.1777 |
| Rwork | 0.176 |
| R-free | 0.20540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rhf |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.452 |
| 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] | 39.300 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.086 | |
| Number of reflections | 44492 | |
| <I/σ(I)> | 23 | |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.1 M Ammonium tartrate dibasic |
