Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-10 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.987 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 101.607, 114.919, 104.249 |
Unit cell angles | 90.00, 103.12, 90.00 |
Refinement procedure
Resolution | 46.830 - 3.150 |
R-factor | 0.1925 |
Rwork | 0.190 |
R-free | 0.25828 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8j2v |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (Refmac5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.830 | 3.260 |
High resolution limit [Å] | 3.150 | 3.150 |
Number of reflections | 19895 | 3327 |
<I/σ(I)> | 5.2 | |
Completeness [%] | 97.5 | |
Redundancy | 6.9 | |
CC(1/2) | 0.990 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Lithium sulfate, 0.1 M Tris pH 8.5, 30% w/vPEG 4000 |