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 | 2022-09-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 67.880, 67.880, 196.654 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.800 - 1.800 |
R-factor | 0.1783 |
Rwork | 0.177 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.898 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.081 | 1.178 |
Number of reflections | 49771 | 2958 |
<I/σ(I)> | 16.8 | 2.1 |
Completeness [%] | 99.9 | |
Redundancy | 12.2 | |
CC(1/2) | 0.999 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG 400, calcium acetate, sodium acetate |