7NMJ
Crystal structure of Polyphosphate Kinase 2 from Deinococcus radiodurans in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-08-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.784, 78.849, 112.139 |
| Unit cell angles | 90.00, 109.39, 90.00 |
Refinement procedure
| Resolution | 63.220 - 2.080 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bmm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.710 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.220 | 2.440 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.165 | 0.470 |
| Rmeas | 0.230 | |
| Rpim | 0.160 | 0.370 |
| Number of reflections | 35023 | 1752 |
| <I/σ(I)> | 3.1 | 1.7 |
| Completeness [%] | 84.9 | 59.7 |
| Redundancy | 3 | 2.7 |
| CC(1/2) | 0.981 | 0.701 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 295 | 0,04 M potassium phosphate 2% PEG 8K 8% glycerol Soaking with ADP |
