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 |