Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.964, 86.345, 136.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.590 - 1.845 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.20450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.010 |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.000 | 1.970 |
High resolution limit [Å] | 1.840 | 1.840 |
Number of reflections | 73508 | 3675 |
<I/σ(I)> | 16.1 | |
Completeness [%] | 96.1 | |
Redundancy | 12.7 | |
CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277.15 | 13% PEG 8000, 0.2 M ammonium sulfate, 0.1 M tri-sodium citrate pH 4.2 |