5MAQ
Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP and PPi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000010 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 166.159, 166.159, 94.985 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 117.490 - 2.460 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lc9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.490 | 2.465 |
| High resolution limit [Å] | 2.456 | 2.456 |
| Rmerge | 0.381 | 1.676 |
| Number of reflections | 49000 | |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 100.0 | 98.1 |
| Redundancy | 13.4 | 14.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | PEG3350, Li2SO4 |
