6SIX
PaaK family AMP-ligase with ANP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.380, 138.139, 130.524 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.920 - 1.880 |
| R-factor | 0.1826 |
| Rwork | 0.181 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.463 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 130.520 | 1.910 |
| High resolution limit [Å] | 1.879 | 1.880 |
| Rmerge | 0.081 | 1.810 |
| Number of reflections | 78902 | 4180 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 99.8 | 95.9 |
| Redundancy | 7.3 | 6.7 |
| CC(1/2) | 0.998 | 0.465 |
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 |
