6SIZ
PaaK family AMP-ligase with ANP and substrate
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 | 2018-07-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 107.450, 138.810, 130.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.800 - 1.770 |
R-factor | 0.2012 |
Rwork | 0.200 |
R-free | 0.22810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6siw |
RMSD bond length | 0.006 |
RMSD bond angle | 1.395 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.800 | 1.800 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.101 | 1.779 |
Number of reflections | 94479 | 5004 |
<I/σ(I)> | 11.4 | 1.1 |
Completeness [%] | 99.5 | 99 |
Redundancy | 7.9 | 8.3 |
CC(1/2) | 0.994 | 0.557 |
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 |