6SIW
PaaK family AMP-ligase with AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0056 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.131, 138.094, 130.426 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.650 - 1.960 |
| R-factor | 0.2014 |
| Rwork | 0.200 |
| R-free | 0.23640 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.416 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.650 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.108 | 0.901 |
| Number of reflections | 69487 | 3406 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 10.7 | 10 |
| CC(1/2) | 0.999 | 0.522 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M KSCN, 0.1 M sodium citrate pH 6.0, 30% PEG MME 2K |
