Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 193 |
Detector technology | PIXEL |
Collection date | 2024-02-01 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.541840 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.185, 40.452, 55.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.170 - 1.712 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | DIMPLE |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.740 | 1.820 |
High resolution limit [Å] | 1.710 | 1.710 |
Number of reflections | 18748 | 937 |
<I/σ(I)> | 11 | |
Completeness [%] | 93.0 | |
Redundancy | 3.9 | |
CC(1/2) | 0.990 | 0.470 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 mM MgCl2, 15% PEG 2000, 100 mM sodium acetate pH 4.4 |